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Nitrobenzoic acids and derivatives

Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.
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Percent Purity 
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Physical Form 
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special interests

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Molecular Weight (g/mol)

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Percent Purity

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1 – 15 of 507 results
1

2-Amino-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 606-18-8 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.13 InChI Key: JJPIVRWTAGQTPQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline PubChem CID: 219633 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

PubChem CID 219633
CAS 606-18-8
Molecular Weight (g/mol) 182.13
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
Synonym 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline
InChI Key JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
2

4-Bromo-2-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

PubChem CID 3774467
CAS 99277-71-1
Molecular Weight (g/mol) 245.01
MDL Number MFCD01013599
SMILES [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
Synonym 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42-
IUPAC Name 4-bromo-2-nitrobenzoate
InChI Key ZIRHHEZLJGORGU-UHFFFAOYSA-M
Molecular Formula C7H3BrNO4
3

2-Bromo-5-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 943-14-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00134558 InChI Key: UVFWYVCDRKRAJH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 PubChem CID: 243025 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br

PubChem CID 243025
CAS 943-14-6
Molecular Weight (g/mol) 246.016
MDL Number MFCD00134558
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
Synonym 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179
InChI Key UVFWYVCDRKRAJH-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
4

2-Fluoro-5-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 7304-32-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00134238 InChI Key: ICXSHFWYCHJILC-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrobenzoic acid,2-fluoro-5-nitrobenzoicacid,2-fluoro-5-nitro-benzoic acid,benzoic acid, 2-fluoro-5-nitro,2-fluoro-5-nitro-benzoicacid,pubchem1307,acmc-209op6,ksc377e3h,2-fluoro-5-nitrobenzotc acid,2-fluoro-5-nitro benzoic acid PubChem CID: 280997 IUPAC Name: 2-fluoro-5-nitrobenzoic acid SMILES: OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O

PubChem CID 280997
CAS 7304-32-7
Molecular Weight (g/mol) 185.11
MDL Number MFCD00134238
SMILES OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O
Synonym 2-fluoro-5-nitrobenzoic acid,2-fluoro-5-nitrobenzoicacid,2-fluoro-5-nitro-benzoic acid,benzoic acid, 2-fluoro-5-nitro,2-fluoro-5-nitro-benzoicacid,pubchem1307,acmc-209op6,ksc377e3h,2-fluoro-5-nitrobenzotc acid,2-fluoro-5-nitro benzoic acid
IUPAC Name 2-fluoro-5-nitrobenzoic acid
InChI Key ICXSHFWYCHJILC-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
5

4-Fluoro-3-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC Name: 4-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

PubChem CID 67987
CAS 453-71-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD00007058
SMILES OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid
IUPAC Name 4-fluoro-3-nitrobenzoic acid
InChI Key BOJWTAQWPVBIPG-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
6

4-Fluoro-2-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 394-01-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00024300 InChI Key: YLUCXHMYRQUERW-UHFFFAOYSA-N Synonym: 4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene PubChem CID: 2737416 SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O

PubChem CID 2737416
CAS 394-01-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD00024300
SMILES C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O
Synonym 4-fluoro-2-nitrobenzoic acid,2-nitro-4-fluorobenzoic acid,4-fluoro-2-nitrobenzoicacid,benzoic acid, 4-fluoro-2-nitro,4-fluoro-2-nitro-benzoic acid,4-fluoro-2-nitrobenzoic acid 2-nitro-4-fluorobenzoic acid,pubchem1311,acmc-1aim5,ksc497m7t,2-carboxy-5-fluoronitrobenzene
InChI Key YLUCXHMYRQUERW-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
7

5-Fluoro-2-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 320-98-9 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00055635 InChI Key: GHYZIXDKAPMFCS-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid PubChem CID: 2737420 SMILES: C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]

PubChem CID 2737420
CAS 320-98-9
Molecular Weight (g/mol) 185.11
MDL Number MFCD00055635
SMILES C1=CC(=C(C=C1F)C(=O)O)[N+](=O)[O-]
Synonym 5-fluoro-2-nitrobenzoic acid,2-nitro-5-fluorobenzoic acid,3-fluoro-6-nitrobenzoic acid,5-fluoro-2-nitro-benzoic acid,benzoic acid, 5-fluoro-2-nitro,2-carboxy-4-fluoronitrobenzene,pubchem1309,acmc-1aiv3,5-fluoro-2nitrobenzoic acid,5-fluor-2-nitrobenzoic acid
InChI Key GHYZIXDKAPMFCS-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
8

MONNA, >98%, Tocris Bioscience™
GREENER_CHOICE

CAS: 1572936-83-4 Molecular Formula: C18H14N2O5 Molecular Weight (g/mol): 338.319 InChI Key: JIVRLHBAUUZTNC-UHFFFAOYSA-N Synonym: monna,2-4-methoxynaphthalen-2-yl amino-5-nitrobenzoic acid,2-4-methoxynaphthalen-2-yl amino-5-nitrobenzoic,n-4-methoxy-2-naphthyl-5-nitroanthranilic acid,2-4-methoxy-2-naphthalenyl amino-5-nitro-benzoic acid PubChem CID: 72165188 IUPAC Name: 2-[(4-methoxynaphthalen-2-yl)amino]-5-nitrobenzoic acid SMILES: COC1=CC(=CC2=CC=CC=C21)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

PubChem CID 72165188
CAS 1572936-83-4
Molecular Weight (g/mol) 338.319
SMILES COC1=CC(=CC2=CC=CC=C21)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O
Synonym monna,2-4-methoxynaphthalen-2-yl amino-5-nitrobenzoic acid,2-4-methoxynaphthalen-2-yl amino-5-nitrobenzoic,n-4-methoxy-2-naphthyl-5-nitroanthranilic acid,2-4-methoxy-2-naphthalenyl amino-5-nitro-benzoic acid
IUPAC Name 2-[(4-methoxynaphthalen-2-yl)amino]-5-nitrobenzoic acid
InChI Key JIVRLHBAUUZTNC-UHFFFAOYSA-N
Molecular Formula C18H14N2O5
9

ML 221, Tocris Bioscience™
GREENER_CHOICE

CAS: 877636-42-5 Molecular Formula: C17H11N3O6S Molecular Weight (g/mol): 385.35 InChI Key: UASIRTUMPRQVFY-UHFFFAOYSA-N Synonym: 4-oxo-6-pyrimidin-2-ylsulfanylmethyl pyran-3-yl 4-nitrobenzoate,4-oxo-6-pyrimidin-2-ylthio methyl-4h-pyran-3-yl 4-nitrobenzoate,d05nxx,4-oxo-6-pyrimidin-2-ylsulfanyl methyl pyran-3-yl 4-nitrobenzoate,5-4-nitrobenzoyl oxy-2-2-pyrimidinylthio methyl-4h-pyran-4-one PubChem CID: 7217941 IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate SMILES: C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

PubChem CID 7217941
CAS 877636-42-5
Molecular Weight (g/mol) 385.35
SMILES C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Synonym 4-oxo-6-pyrimidin-2-ylsulfanylmethyl pyran-3-yl 4-nitrobenzoate,4-oxo-6-pyrimidin-2-ylthio methyl-4h-pyran-3-yl 4-nitrobenzoate,d05nxx,4-oxo-6-pyrimidin-2-ylsulfanyl methyl pyran-3-yl 4-nitrobenzoate,5-4-nitrobenzoyl oxy-2-2-pyrimidinylthio methyl-4h-pyran-4-one
IUPAC Name [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate
InChI Key UASIRTUMPRQVFY-UHFFFAOYSA-N
Molecular Formula C17H11N3O6S
10

5-Acetamido-2-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 4368-83-6 Molecular Formula: C9H8N2O5 Molecular Weight (g/mol): 224.172 MDL Number: MFCD00035889 InChI Key: ZSHFMOUMOUOGKI-UHFFFAOYSA-N Synonym: 5-acetamido-2-nitrobenzoic acid,5-acetylamino-2-nitrobenzoic acid,benzoic acid, 5-acetylamino-2-nitro,2-nitro-5-acetylaminobenzoic acid,5-acetamido-2-nitrobenzoicacid,pubchem13220,acmc-209jv7,5-acetamido-2-nitrobenzoic PubChem CID: 78076 ChEBI: CHEBI:86569 SMILES: CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

PubChem CID 78076
CAS 4368-83-6
Molecular Weight (g/mol) 224.172
ChEBI CHEBI:86569
MDL Number MFCD00035889
SMILES CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym 5-acetamido-2-nitrobenzoic acid,5-acetylamino-2-nitrobenzoic acid,benzoic acid, 5-acetylamino-2-nitro,2-nitro-5-acetylaminobenzoic acid,5-acetamido-2-nitrobenzoicacid,pubchem13220,acmc-209jv7,5-acetamido-2-nitrobenzoic
InChI Key ZSHFMOUMOUOGKI-UHFFFAOYSA-N
Molecular Formula C9H8N2O5
11

4-Amino-2-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 610-36-6 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 InChI Key: SAJYSJVBNGUWJK-UHFFFAOYSA-N PubChem CID: 235713 SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O

PubChem CID 235713
CAS 610-36-6
Molecular Weight (g/mol) 182.135
SMILES C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O
InChI Key SAJYSJVBNGUWJK-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
12

2-Bromo-3-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 573-54-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00074899 InChI Key: WTDJEGSXLFHZPY-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade PubChem CID: 68452 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O

PubChem CID 68452
CAS 573-54-6
Molecular Weight (g/mol) 246.016
MDL Number MFCD00074899
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
Synonym 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade
InChI Key WTDJEGSXLFHZPY-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
13

3-Bromo-5-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 6307-83-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00100098 InChI Key: AXRKIZCFYZBBPX-UHFFFAOYSA-N Synonym: 3-bromo-5-nitrobenzoic acid,5-bromo-3-nitrobenzoic acid,benzoic acid, 3-bromo-5-nitro,3-bromo-5-nitro-benzoic acid,3-bromo-5-nitrobenzoicacid,pubchem4734,acmc-209ncw,ksc357s4t,3-bromo-5-nitro benzoic acid PubChem CID: 239336 SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O

PubChem CID 239336
CAS 6307-83-1
Molecular Weight (g/mol) 246.016
MDL Number MFCD00100098
SMILES C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O
Synonym 3-bromo-5-nitrobenzoic acid,5-bromo-3-nitrobenzoic acid,benzoic acid, 3-bromo-5-nitro,3-bromo-5-nitro-benzoic acid,3-bromo-5-nitrobenzoicacid,pubchem4734,acmc-209ncw,ksc357s4t,3-bromo-5-nitro benzoic acid
InChI Key AXRKIZCFYZBBPX-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
14

4-Chloro-3-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 96-99-1 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007079 InChI Key: DFXQXFGFOLXAPO-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzoic acid,3-nitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3-nitro,kyselina 4-chloro-3-nitrobenzoova,unii-0mlz915q9k,ccris 3126,kyselina 4-chloro-3-nitrobenzoova czech,4-chloro-3-nitrobenzoic acic,4-chloro-3-nitro-benzoic acid,5-carboxy-2-chloronitrobenzene PubChem CID: 7320 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl

PubChem CID 7320
CAS 96-99-1
Molecular Weight (g/mol) 201.562
MDL Number MFCD00007079
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl
Synonym 4-chloro-3-nitrobenzoic acid,3-nitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3-nitro,kyselina 4-chloro-3-nitrobenzoova,unii-0mlz915q9k,ccris 3126,kyselina 4-chloro-3-nitrobenzoova czech,4-chloro-3-nitrobenzoic acic,4-chloro-3-nitro-benzoic acid,5-carboxy-2-chloronitrobenzene
InChI Key DFXQXFGFOLXAPO-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
15

2-Methyl-5-nitrobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

PubChem CID 519683
CAS 1975-52-6
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007371
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244
InChI Key DJRFJAVPROZZFL-UHFFFAOYSA-N
Molecular Formula C8H7NO4