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

Systemtic Name: 4-[(4-acetamidophenyl)amino]-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-acetamidoanilino)-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-(4-acetamidoanilino)-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-acetamidoanilino)-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-(4-acetamidoanilino)-3-nitro-5-sulfamoyl-benzoic acid Formula: C15H14N4O7S MolecularWeight: 394.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O7S/c1-8(20)17-10-2-4-11(5-3-10)18-14-12(19(23)24)6-9(15(21)22)7-13(14)27(16,25)26/h2-7,18H,1H3,(H,17,20)(H,21,22)(H2,16,25,26)