Organic oxoazanium compounds

Organic oxoazanium compounds
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CNQX, Tocris Bioscience™
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CAS: 115066-14-3 Molecular Formula: C9H4N4O4 Molecular Weight (g/mol): 232.155 InChI Key: RPXVIAFEQBNEAX-UHFFFAOYSA-N Synonym: cnqx,6-cyano-7-nitroquinoxaline-2,3-dione,unii-6ote87sccw,7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile,6ote87sccw,3h cnqx,6-cyano-2,3-dihydroxy-7-nitroquinoxaline,1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile,6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo,2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile PubChem CID: 3721046 ChEBI: CHEBI:34468 IUPAC Name: 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile SMILES: C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
PubChem CID | 3721046 |
---|---|
CAS | 115066-14-3 |
Molecular Weight (g/mol) | 232.155 |
ChEBI | CHEBI:34468 |
SMILES | C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N |
Synonym | cnqx,6-cyano-7-nitroquinoxaline-2,3-dione,unii-6ote87sccw,7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile,6ote87sccw,3h cnqx,6-cyano-2,3-dihydroxy-7-nitroquinoxaline,1,4-dihydro-2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile,6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo,2,3-dihydroxy-7-nitro-6-quinoxalinecarbonitrile |
IUPAC Name | 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile |
InChI Key | RPXVIAFEQBNEAX-UHFFFAOYSA-N |
Molecular Formula | C9H4N4O4 |
4-(4-Nitrobenzyl)pyridine, 98%, Thermo Scientific Chemicals
CAS: 1083-48-3 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00006445 InChI Key: MNHKUCBXXMFQDM-UHFFFAOYSA-N Synonym: 4-4-nitrobenzyl pyridine,4-4-nitrophenyl methyl pyridine,pyridine, 4-4-nitrophenyl methyl,pyridine, 4-p-nitrobenzyl,1-p-nitrobenzyl pyridine,4-p-nitrobenzyl pyridine,4 4-nitrobenzyl primide,unii-0z6gs37n7h,gamma-p-nitrobenzyl pyridine PubChem CID: 14129 IUPAC Name: 4-[(4-nitrophenyl)methyl]pyridine SMILES: [O-][N+](=O)C1=CC=C(CC2=CC=NC=C2)C=C1
PubChem CID | 14129 |
---|---|
CAS | 1083-48-3 |
Molecular Weight (g/mol) | 214.22 |
MDL Number | MFCD00006445 |
SMILES | [O-][N+](=O)C1=CC=C(CC2=CC=NC=C2)C=C1 |
Synonym | 4-4-nitrobenzyl pyridine,4-4-nitrophenyl methyl pyridine,pyridine, 4-4-nitrophenyl methyl,pyridine, 4-p-nitrobenzyl,1-p-nitrobenzyl pyridine,4-p-nitrobenzyl pyridine,4 4-nitrobenzyl primide,unii-0z6gs37n7h,gamma-p-nitrobenzyl pyridine |
IUPAC Name | 4-[(4-nitrophenyl)methyl]pyridine |
InChI Key | MNHKUCBXXMFQDM-UHFFFAOYSA-N |
Molecular Formula | C12H10N2O2 |
Nitromethane, 96%, for spectroscopy, Thermo Scientific Chemicals
CAS: 75-52-5 Molecular Formula: CH3NO2 Molecular Weight (g/mol): 61.04 MDL Number: MFCD00007400 InChI Key: LYGJENNIWJXYER-UHFFFAOYSA-N Synonym: methane, nitro,nitrocarbol,nitrometan,nitrometan polish,nitro-methane,unii-ru5wg8c3f4,ccris 1205,hsdb 106,meno2,ru5wg8c3f4 PubChem CID: 6375 ChEBI: CHEBI:77701 IUPAC Name: nitromethane SMILES: C[N+]([O-])=O
PubChem CID | 6375 |
---|---|
CAS | 75-52-5 |
Molecular Weight (g/mol) | 61.04 |
ChEBI | CHEBI:77701 |
MDL Number | MFCD00007400 |
SMILES | C[N+]([O-])=O |
Synonym | methane, nitro,nitrocarbol,nitrometan,nitrometan polish,nitro-methane,unii-ru5wg8c3f4,ccris 1205,hsdb 106,meno2,ru5wg8c3f4 |
IUPAC Name | nitromethane |
InChI Key | LYGJENNIWJXYER-UHFFFAOYSA-N |
Molecular Formula | CH3NO2 |
6-Nitrophthalide 95.0+%, TCI America™
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CAS: 610-93-5 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00033529 InChI Key: RNWGZXAHUPFXLL-UHFFFAOYSA-N Synonym: 6-nitrophthalide,6-nitroisobenzofuran-1 3h-one,6-nitro-3h-isobenzofuran-1-one,6-nitro-1,3-dihydroisobenzofuran-1-one,6-nitro-1 3h-isobenzofuranone,6-nitro-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 6-nitro,6-nitro-3-hydroisobenzofuran-1-one,6-nitro-1,3-dihydro-2-benzofuran-1-one,6-nitrophtalide PubChem CID: 223584 IUPAC Name: 6-nitro-1,3-dihydro-2-benzofuran-1-one SMILES: [O-][N+](=O)C1=CC=C2COC(=O)C2=C1
PubChem CID | 223584 |
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CAS | 610-93-5 |
Molecular Weight (g/mol) | 179.13 |
MDL Number | MFCD00033529 |
SMILES | [O-][N+](=O)C1=CC=C2COC(=O)C2=C1 |
Synonym | 6-nitrophthalide,6-nitroisobenzofuran-1 3h-one,6-nitro-3h-isobenzofuran-1-one,6-nitro-1,3-dihydroisobenzofuran-1-one,6-nitro-1 3h-isobenzofuranone,6-nitro-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 6-nitro,6-nitro-3-hydroisobenzofuran-1-one,6-nitro-1,3-dihydro-2-benzofuran-1-one,6-nitrophtalide |
IUPAC Name | 6-nitro-1,3-dihydro-2-benzofuran-1-one |
InChI Key | RNWGZXAHUPFXLL-UHFFFAOYSA-N |
Molecular Formula | C8H5NO4 |
3-Nitroaniline 98.0+%, TCI America™
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CAS: 99-09-2 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007782 InChI Key: XJCVRTZCHMZPBD-UHFFFAOYSA-N Synonym: m-nitroaniline,benzenamine, 3-nitro,3-nitrophenylamine,nitranilin,3-aminonitrobenzene,fast orange base r,azobase mna,devol orange r,m-nitrophenylamine,3-nitrobenzenamine PubChem CID: 7423 IUPAC Name: 3-nitroaniline SMILES: NC1=CC=CC(=C1)[N+]([O-])=O
PubChem CID | 7423 |
---|---|
CAS | 99-09-2 |
Molecular Weight (g/mol) | 138.13 |
MDL Number | MFCD00007782 |
SMILES | NC1=CC=CC(=C1)[N+]([O-])=O |
Synonym | m-nitroaniline,benzenamine, 3-nitro,3-nitrophenylamine,nitranilin,3-aminonitrobenzene,fast orange base r,azobase mna,devol orange r,m-nitrophenylamine,3-nitrobenzenamine |
IUPAC Name | 3-nitroaniline |
InChI Key | XJCVRTZCHMZPBD-UHFFFAOYSA-N |
Molecular Formula | C6H6N2O2 |
Ethyl 4-Nitrophenylacetate 98.0+%, TCI America™
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CAS: 5445-26-1 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.20 MDL Number: MFCD00017046 InChI Key: DWDRNKYLWMKWTH-UHFFFAOYSA-N Synonym: ethyl 4-nitrophenylacetate,ethyl 2-4-nitrophenyl acetate,ethyl p-nitrophenylacetate,ethyl 4-nitrobenzeneacetate,ethyl 4-nitrophenyl acetate,4-nitrophenylacetic acid ethyl ester,benzeneacetic acid, 4-nitro-, ethyl ester,ethyl-4-nitrophenylacetate,acetic acid, p-nitrophenyl-, ethyl ester,4-nitro-phenyl-acetic acid ethyl ester PubChem CID: 79517 IUPAC Name: ethyl 2-(4-nitrophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)[N+]([O-])=O
PubChem CID | 79517 |
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CAS | 5445-26-1 |
Molecular Weight (g/mol) | 209.20 |
MDL Number | MFCD00017046 |
SMILES | CCOC(=O)CC1=CC=C(C=C1)[N+]([O-])=O |
Synonym | ethyl 4-nitrophenylacetate,ethyl 2-4-nitrophenyl acetate,ethyl p-nitrophenylacetate,ethyl 4-nitrobenzeneacetate,ethyl 4-nitrophenyl acetate,4-nitrophenylacetic acid ethyl ester,benzeneacetic acid, 4-nitro-, ethyl ester,ethyl-4-nitrophenylacetate,acetic acid, p-nitrophenyl-, ethyl ester,4-nitro-phenyl-acetic acid ethyl ester |
IUPAC Name | ethyl 2-(4-nitrophenyl)acetate |
InChI Key | DWDRNKYLWMKWTH-UHFFFAOYSA-N |
Molecular Formula | C10H11NO4 |
1-Nitropropane 98.0+%, TCI America™
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CAS: 108-03-2 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.094 MDL Number: MFCD00007407 InChI Key: JSZOAYXJRCEYSX-UHFFFAOYSA-N Synonym: propane, 1-nitro,nitropropane,propane, nitro,ccris 1329,dsstox_cid_980,dsstox_rid_75902,dsstox_gsid_20980,nitro-propane,n-nitropropane,3-nitropropane PubChem CID: 7903 ChEBI: CHEBI:76261 IUPAC Name: 1-nitropropane SMILES: CCC[N+](=O)[O-]
PubChem CID | 7903 |
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CAS | 108-03-2 |
Molecular Weight (g/mol) | 89.094 |
ChEBI | CHEBI:76261 |
MDL Number | MFCD00007407 |
SMILES | CCC[N+](=O)[O-] |
Synonym | propane, 1-nitro,nitropropane,propane, nitro,ccris 1329,dsstox_cid_980,dsstox_rid_75902,dsstox_gsid_20980,nitro-propane,n-nitropropane,3-nitropropane |
IUPAC Name | 1-nitropropane |
InChI Key | JSZOAYXJRCEYSX-UHFFFAOYSA-N |
Molecular Formula | C3H7NO2 |
2-Nitrophenylsulfenyl Chloride 95.0+%, TCI America™
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CAS: 7669-54-7 Molecular Formula: C6H4ClNO2S Molecular Weight (g/mol): 189.613 MDL Number: MFCD00007128 InChI Key: NTNKNFHIAFDCSJ-UHFFFAOYSA-N Synonym: 2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane PubChem CID: 24319 IUPAC Name: (2-nitrophenyl) thiohypochlorite SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SCl
PubChem CID | 24319 |
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CAS | 7669-54-7 |
Molecular Weight (g/mol) | 189.613 |
MDL Number | MFCD00007128 |
SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SCl |
Synonym | 2-nitrobenzenesulfenyl chloride,2-nitrophenylsulfenyl chloride,benzenesulfenyl chloride, 2-nitro,o-nitrobenzenesulfenyl chloride,o-nitrophenylsulfenyl chloride,2-nitrobenzenesulfenylchloride,o-nitrophenylsulphenyl chloride,o-nitrobenzenesulphenyl chloride,2-nitrophenyl thiohypochlorite,2-nitrophenyl sulfanyl chlorane |
IUPAC Name | (2-nitrophenyl) thiohypochlorite |
InChI Key | NTNKNFHIAFDCSJ-UHFFFAOYSA-N |
Molecular Formula | C6H4ClNO2S |
3-Nitrophenylacetic Acid 98.0+%, TCI America™
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CAS: 1877-73-2 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007278 InChI Key: WUKHOVCMWXMOOA-UHFFFAOYSA-N Synonym: 3-nitrophenylacetic acid,2-3-nitrophenyl acetic acid,3-nitrophenyl acetic acid,benzeneacetic acid, 3-nitro,m-nitrophenyl acetic acid,m-nitrophenylacetic acid,3-nitrobenzeneacetic acid,acetic acid, m-nitrophenyl,ccris 2337 PubChem CID: 15876 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O
PubChem CID | 15876 |
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CAS | 1877-73-2 |
Molecular Weight (g/mol) | 181.147 |
MDL Number | MFCD00007278 |
SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O |
Synonym | 3-nitrophenylacetic acid,2-3-nitrophenyl acetic acid,3-nitrophenyl acetic acid,benzeneacetic acid, 3-nitro,m-nitrophenyl acetic acid,m-nitrophenylacetic acid,3-nitrobenzeneacetic acid,acetic acid, m-nitrophenyl,ccris 2337 |
InChI Key | WUKHOVCMWXMOOA-UHFFFAOYSA-N |
Molecular Formula | C8H7NO4 |
3-Nitropyrrole 98.0+%, TCI America™
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CAS: 5930-94-9 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 MDL Number: MFCD00059714 InChI Key: LOJNBPNACKZWAI-UHFFFAOYSA-N PubChem CID: 145813 IUPAC Name: 3-nitro-1H-pyrrole SMILES: C1=CNC=C1[N+](=O)[O-]
PubChem CID | 145813 |
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CAS | 5930-94-9 |
Molecular Weight (g/mol) | 112.088 |
MDL Number | MFCD00059714 |
SMILES | C1=CNC=C1[N+](=O)[O-] |
IUPAC Name | 3-nitro-1H-pyrrole |
InChI Key | LOJNBPNACKZWAI-UHFFFAOYSA-N |
Molecular Formula | C4H4N2O2 |
Nitrobenzene 99.5+%, TCI America™
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CAS: 98-95-3 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.111 InChI Key: LQNUZADURLCDLV-UHFFFAOYSA-N Synonym: nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene PubChem CID: 7416 ChEBI: CHEBI:27798 IUPAC Name: nitrobenzene SMILES: C1=CC=C(C=C1)[N+](=O)[O-]
PubChem CID | 7416 |
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CAS | 98-95-3 |
Molecular Weight (g/mol) | 123.111 |
ChEBI | CHEBI:27798 |
SMILES | C1=CC=C(C=C1)[N+](=O)[O-] |
Synonym | nitrobenzol,benzene, nitro,oil of mirbane,mirbane oil,essence of mirbane,nitro-benzene,nitrobenzeen,oil of myrbane,nitrobenzen,mononitrobenzene |
IUPAC Name | nitrobenzene |
InChI Key | LQNUZADURLCDLV-UHFFFAOYSA-N |
Molecular Formula | C6H5NO2 |
2-(4-Nitrophenoxy)naphthalene 98.0+%, TCI America™
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CAS: 71311-82-5 Molecular Formula: C16H11NO3 Molecular Weight (g/mol): 265.268 MDL Number: MFCD00427410 InChI Key: ORYXOTYJSALBQZ-UHFFFAOYSA-N PubChem CID: 762478 IUPAC Name: 2-(4-nitrophenoxy)naphthalene SMILES: C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)[N+](=O)[O-]
PubChem CID | 762478 |
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CAS | 71311-82-5 |
Molecular Weight (g/mol) | 265.268 |
MDL Number | MFCD00427410 |
SMILES | C1=CC=C2C=C(C=CC2=C1)OC3=CC=C(C=C3)[N+](=O)[O-] |
IUPAC Name | 2-(4-nitrophenoxy)naphthalene |
InChI Key | ORYXOTYJSALBQZ-UHFFFAOYSA-N |
Molecular Formula | C16H11NO3 |
1,3,5-Trichloro-2-nitrobenzene, 98+%, Thermo Scientific Chemicals
CAS: 18708-70-8 Molecular Formula: C6H2Cl3NO2 Molecular Weight (g/mol): 226.437 MDL Number: MFCD00014690 InChI Key: AEBJDOTVYMITIA-UHFFFAOYSA-N PubChem CID: 29228 IUPAC Name: 1,3,5-trichloro-2-nitrobenzene SMILES: C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl
PubChem CID | 29228 |
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CAS | 18708-70-8 |
Molecular Weight (g/mol) | 226.437 |
MDL Number | MFCD00014690 |
SMILES | C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl |
IUPAC Name | 1,3,5-trichloro-2-nitrobenzene |
InChI Key | AEBJDOTVYMITIA-UHFFFAOYSA-N |
Molecular Formula | C6H2Cl3NO2 |
6-Nitroindole, 97%, Thermo Scientific Chemicals
CAS: 4769-96-4 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00051497 InChI Key: PSWCIARYGITEOY-UHFFFAOYSA-N Synonym: 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p PubChem CID: 78502 IUPAC Name: 6-nitro-1H-indole SMILES: [O-][N+](=O)C1=CC=C2C=CNC2=C1
PubChem CID | 78502 |
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CAS | 4769-96-4 |
Molecular Weight (g/mol) | 162.15 |
MDL Number | MFCD00051497 |
SMILES | [O-][N+](=O)C1=CC=C2C=CNC2=C1 |
Synonym | 6-nitroindole,1h-indole, 6-nitro,6-nitro-indole,6-nitro-ih-indole,pubchem7242,#,acmc-1aq0p |
IUPAC Name | 6-nitro-1H-indole |
InChI Key | PSWCIARYGITEOY-UHFFFAOYSA-N |
Molecular Formula | C8H6N2O2 |
1-Chloro-2,4-dinitrobenzene, 98%, Thermo Scientific Chemicals
CAS: 97-00-7 Molecular Formula: C6H3ClN2O4 Molecular Weight (g/mol): 202.55 MDL Number: MFCD00007075 InChI Key: VYZAHLCBVHPDDF-UHFFFAOYSA-N Synonym: 2,4-dinitrochlorobenzene,dinitrochlorobenzene,dncb,cdnb,chlorodinitrobenzene,4-chloro-1,3-dinitrobenzene,2,4-dinitrophenyl chloride,benzene, 1-chloro-2,4-dinitro,dinitrochlorobenzol,1,3-dinitro-4-chlorobenzene PubChem CID: 6 ChEBI: CHEBI:34718 IUPAC Name: 1-chloro-2,4-dinitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
PubChem CID | 6 |
---|---|
CAS | 97-00-7 |
Molecular Weight (g/mol) | 202.55 |
ChEBI | CHEBI:34718 |
MDL Number | MFCD00007075 |
SMILES | [O-][N+](=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O |
Synonym | 2,4-dinitrochlorobenzene,dinitrochlorobenzene,dncb,cdnb,chlorodinitrobenzene,4-chloro-1,3-dinitrobenzene,2,4-dinitrophenyl chloride,benzene, 1-chloro-2,4-dinitro,dinitrochlorobenzol,1,3-dinitro-4-chlorobenzene |
IUPAC Name | 1-chloro-2,4-dinitrobenzene |
InChI Key | VYZAHLCBVHPDDF-UHFFFAOYSA-N |
Molecular Formula | C6H3ClN2O4 |