[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylamino)benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylamino)benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C17H17N3O7S MolecularWeight: 407.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O7S/c1-11(16(21)18-14-8-3-4-9-15(14)20(23)24)27-17(22)12-6-5-7-13(10-12)19-28(2,25)26/h3-11,19H,1-2H3,(H,18,21)