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

Systemtic Name: 4-[(3-methylphenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(3-methylanilino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(3-methylanilino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(3-methylanilino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(m-toluidino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-8-3-2-4-10(5-8)16-13-11(17(20)21)6-9(14(18)19)7-12(13)24(15,22)23/h2-7,16H,1H3,(H,18,19)(H2,15,22,23)