ethyl (2R)-2-cyano-4-[(4-methylphenyl)carbonylamino]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2R)-2-cyano-4-[(4-methylphenyl)carbonylamino]-3-oxidanylidene-butanoate Openeye Name: ethyl (2R)-2-cyano-4-[(4-methylbenzoyl)amino]-3-oxo-butanoate CAS Name: (2R)-2-cyano-4-[[(4-methylphenyl)-oxomethyl]amino]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-4-[(4-methylbenzoyl)amino]-3-oxobutanoate Traditional Name: (2R)-2-cyano-3-keto-4-(p-toluoylamino)butyric acid ethyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)CNC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(=O)CNC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H16N2O4/c1-3-21-15(20)12(8-16)13(18)9-17-14(19)11-6-4-10(2)5-7-11/h4-7,12H,3,9H2,1-2H3,(H,17,19)/t12-/m1/s1