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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O5S/c1-11(26-15-7-5-12(18)6-8-15)17(22)25-10-16(21)19-13-3-2-4-14(9-13)20(23)24/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m1/s1