4-[(4-chloranyl-3-nitro-phenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[(4-chloro-3-nitro-phenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[(4-chloro-3-nitrophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[(4-chloro-3-nitrophenyl)sulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[(4-carbomethoxybenzyl)-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-2-hydroxy-benzoic acid Formula: C22H17ClN2O9S MolecularWeight: 520.89638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2=CC(=C(C=C2)C(=O)O)O)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2=CC(=C(C=C2)C(=O)O)O)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O9S/c1-34-22(29)14-4-2-13(3-5-14)12-24(15-6-8-17(21(27)28)20(26)10-15)35(32,33)16-7-9-18(23)19(11-16)25(30)31/h2-11,26H,12H2,1H3,(H,27,28)