[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-sulfamoyl-benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N

InChI

InChI=1S/C17H17N3O8S/c1-10(16(21)19-12-4-6-13(7-5-12)20(23)24)28-17(22)11-3-8-14(27-2)15(9-11)29(18,25)26/h3-10H,1-2H3,(H,19,21)(H2,18,25,26)