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

Systemtic Name: 4-[(3-methoxyphenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(3-methoxyanilino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(3-methoxyanilino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(3-methoxyanilino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(m-anisidino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C14H13N3O7S MolecularWeight: 367.33392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O7S/c1-24-10-4-2-3-9(7-10)16-13-11(17(20)21)5-8(14(18)19)6-12(13)25(15,22)23/h2-7,16H,1H3,(H,18,19)(H2,15,22,23)