[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H14Cl2N2O5S MolecularWeight: 429.27446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O5S/c18-11-5-6-13(14(9-11)21(24)25)20-16(22)10-26-17(23)7-8-27-15-4-2-1-3-12(15)19/h1-6,9H,7-8,10H2,(H,20,22)