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Nitrobenzoic acids and derivatives
Description:
Compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
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Ethyl 2-bromo-3-nitrobenzoateCas Number: 31706-23-7 Compound CID: 3731400Formula: C9H8BrNO4 Molecular Weight: 274.07IUPAC Name: ethyl 2-bromo-3-nitrobenzoateSMILES: CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])BrInChIKey: WTNZOABLVURCTP-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrNO4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2H2,1H3 -
Methyl 5-fluoro-2-methyl-3-nitrobenzoateCas Number: 697739-03-0 Compound CID: 44203026Formula: C9H8FNO4 Molecular Weight: 213.16IUPAC Name: methyl 5-fluoro-2-methyl-3-nitrobenzoateSMILES: CC1=C(C=C(C=C1[N+](=O)[O-])F)C(=O)OCInChIKey: QOEAMLSLLJPIRF-UHFFFAOYSA-NInChI: InChI=1S/C9H8FNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3Synonyms: 5-Fluoro-2-Methyl-3-Nitro-Benzoic Acid Methyl Ester
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3-Bromo-4-methoxy-5-nitro-benzoic acid methyl esterCas Number: 40258-73-9 Compound CID: 17733358Formula: C9H8BrNO5 Molecular Weight: 290.07IUPAC Name: methyl 3-bromo-4-methoxy-5-nitrobenzoateSMILES: COC1=C(C=C(C=C1Br)C(=O)OC)[N+](=O)[O-]InChIKey: FTUNSACBIXMAPH-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrNO5/c1-15-8-6(10)3-5(9(12)16-2)4-7(8)11(13)14/h3-4H,1-2H3
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3-Bromo-4-methoxy-5-nitro-benzoic acidCas Number: 954815-08-8 Compound CID: 17733362Formula: C8H6BrNO5 Molecular Weight: 276.04IUPAC Name: 3-bromo-4-methoxy-5-nitrobenzoic acidSMILES: COC1=C(C=C(C=C1Br)C(=O)O)[N+](=O)[O-]InChIKey: WYCKROZPOJCKCA-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrNO5/c1-15-7-5(9)2-4(8(11)12)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
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2，4-diMethoxy-5-nitrobenzoic acidCas Number: 90564-41-3 Compound CID: 13307660Formula: C9H9NO6 Molecular Weight: 227.17IUPAC Name: 2,4-dimethoxy-5-nitrobenzoic acidSMILES: COC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCInChIKey: RECRLCHPXXOYHZ-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO6/c1-15-7-4-8(16-2)6(10(13)14)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12)
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2-Nitro-5-(trifluoromethoxy)benzoic acidCas Number: 189359-65-7 Compound CID: 21904613Formula: C8H4F3NO5 Molecular Weight: 251.12IUPAC Name: 2-nitro-5-(trifluoromethoxy)benzoic acidSMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)[N+](=O)[O-]InChIKey: GQEIKAXUKWLVPL-UHFFFAOYSA-NInChI: InChI=1S/C8H4F3NO5/c9-8(10,11)17-4-1-2-6(12(15)16)5(3-4)7(13)14/h1-3H,(H,13,14)
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2-Nitro-5-(trifluoromethyl)benzoicacidCas Number: 1214373-54-2 Compound CID: 71650910Formula: C8H4F3NO4 Molecular Weight: 235.12IUPAC Name: 2-nitro-5-(trifluoromethyl)benzoic acidSMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)[N+](=O)[O-]InChIKey: POSKCQXWHNDYKW-UHFFFAOYSA-NInChI: InChI=1S/C8H4F3NO4/c9-8(10,11)4-1-2-6(12(15)16)5(3-4)7(13)14/h1-3H,(H,13,14)
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2-Nitro-3-Amino-4-Methylbenzoic AcidCas Number: 37901-90-9 Compound CID: 5077335Formula: C8H8N2O4 Molecular Weight: 196.16IUPAC Name: 3-amino-4-methyl-2-nitrobenzoic acidSMILES: CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])NInChIKey: JLWAVVAJFWDXEF-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2O4/c1-4-2-3-5(8(11)12)7(6(4)9)10(13)14/h2-3H,9H2,1H3,(H,11,12)
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2-Cyano-3-nitrobenzoic acidCas Number: 1260834-31-8 Compound CID: 53417017Formula: C8H4N2O4 Molecular Weight: 192.13IUPAC Name: 2-cyano-3-nitrobenzoic acidSMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C(=O)OInChIKey: DFPVVWZPOOLICC-UHFFFAOYSA-NInChI: InChI=1S/C8H4N2O4/c9-4-6-5(8(11)12)2-1-3-7(6)10(13)14/h1-3H,(H,11,12)
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2-Amino-4-nitro-5-methoxybenzoic AcidCas Number: 196194-99-7 Compound CID: 21260273Formula: C8H8N2O5 Molecular Weight: 212.16IUPAC Name: 2-amino-5-methoxy-4-nitrobenzoic acidSMILES: COC1=C(C=C(C(=C1)C(=O)O)N)[N+](=O)[O-]InChIKey: SDGOTDAQMBDEOT-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2O5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,9H2,1H3,(H,11,12)
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2-Amino-5-bromo-3-nitrobenzoic acidCas Number: 58580-07-7 Compound CID: 18431478Formula: C7H5BrN2O4 Molecular Weight: 261.029IUPAC Name: 2-amino-5-bromo-3-nitrobenzoic acidSMILES: C1=C(C=C(C(=C1C(=O)O)N)[N+](=O)[O-])BrInChIKey: MCQLFDJHSKKLHC-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrN2O4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,9H2,(H,11,12)
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tert-Butyl 4-fluoro-3-nitrobenzoateCas Number: 579514-75-3 Compound CID: 58748597Formula: C11H12FNO4 Molecular Weight: 241.22IUPAC Name: tert-butyl 4-fluoro-3-nitrobenzoateSMILES: CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]InChIKey: QWDYAIDDFCNTKJ-UHFFFAOYSA-NInChI: InChI=1S/C11H12FNO4/c1-11(2,3)17-10(14)7-4-5-8(12)9(6-7)13(15)16/h4-6H,1-3H3
