[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O7S MolecularWeight: 440.85478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O7S/c1-12(18(23)20-16-8-7-13(21(24)25)11-15(16)19)28-17(22)9-10-29(26,27)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,23)