[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-13(14-5-3-2-4-6-14)9-19(24)27-12-18(23)21-17-8-7-16(22(25)26)10-15(17)11-20/h2-8,10,13H,9,12H2,1H3,(H,21,23)/t13-/m0/s1