[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-chlorophenyl)methylthio]acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-chlorobenzyl)thio]acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClN2O5S/c1-12(18(23)20-15-3-2-4-16(9-15)21(24)25)26-17(22)11-27-10-13-5-7-14(19)8-6-13/h2-9,12H,10-11H2,1H3,(H,20,23)