[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-sulfamoylphenyl)propanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-sulfamoylphenyl)propanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-(4-sulfamoylphenyl)propanoate CAS Name: 3-(4-sulfamoylphenyl)propanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-(4-sulfamoylphenyl)propanoate Traditional Name: 3-(4-sulfamoylphenyl)propionic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S/c18-28(25,26)13-8-5-12(6-9-13)7-10-17(22)27-11-16(21)19-14-3-1-2-4-15(14)20(23)24/h1-6,8-9H,7,10-11H2,(H,19,21)(H2,18,25,26)