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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)SCCC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

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