4-[(4-carboxyphenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-carboxyphenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-carboxyanilino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(4-carboxyanilino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-carboxyanilino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(4-carboxyanilino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C14H11N3O8S MolecularWeight: 381.31744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O8S/c15-26(24,25)11-6-8(14(20)21)5-10(17(22)23)12(11)16-9-3-1-7(2-4-9)13(18)19/h1-6,16H,(H,18,19)(H,20,21)(H2,15,24,25)