4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylamino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylamino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]amino]-2-hydroxy-benzoic acid Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)CNC3=CC(=C(C=C3)C(=O)O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)CNC3=CC(=C(C=C3)C(=O)O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN2O5S/c21-13-2-5-15(6-3-13)29-19-8-1-12(9-17(19)23(27)28)11-22-14-4-7-16(20(25)26)18(24)10-14/h1-10,22,24H,11H2,(H,25,26)