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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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