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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-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:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17N3O5/c1-2-16(13-6-4-3-5-7-13)19(24)27-12-18(23)21-17-9-8-15(22(25)26)10-14(17)11-20/h3-10,16H,2,12H2,1H3,(H,21,23)/t16-/m1/s1