[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C18H16N4O7S MolecularWeight: 432.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H16N4O7S/c19-10-1-11-20-30(27,28)16-8-2-13(3-9-16)18(24)29-12-17(23)21-14-4-6-15(7-5-14)22(25)26/h2-9,20H,1,11-12H2,(H,21,23)