[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O5S/c18-12-4-6-15(7-5-12)26-9-8-17(22)25-11-16(21)19-13-2-1-3-14(10-13)20(23)24/h1-7,10H,8-9,11H2,(H,19,21)