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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17N3O6 MolecularWeight: 383.35478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)OC2=CC=CC=C2

InChI

InChI=1S/C19H17N3O6/c1-2-17(28-15-6-4-3-5-7-15)19(24)27-12-18(23)21-16-9-8-14(22(25)26)10-13(16)11-20/h3-10,17H,2,12H2,1H3,(H,21,23)/t17-/m1/s1