ethyl 5-cyano-5-(2,4-dimethylphenyl)-4-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-cyano-5-(2,4-dimethylphenyl)-4-oxidanylidene-pentanoate Openeye Name: ethyl 5-cyano-5-(2,4-dimethylphenyl)-4-oxo-pentanoate CAS Name: 5-cyano-5-(2,4-dimethylphenyl)-4-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-cyano-5-(2,4-dimethylphenyl)-4-oxopentanoate Traditional Name: 5-cyano-5-(2,4-dimethylphenyl)-4-keto-valeric acid ethyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C(C#N)C1=C(C=C(C=C1)C)C

Isomeric SMILES

CCOC(=O)CCC(=O)C(C#N)C1=C(C=C(C=C1)C)C

InChI

InChI=1S/C16H19NO3/c1-4-20-16(19)8-7-15(18)14(10-17)13-6-5-11(2)9-12(13)3/h5-6,9,14H,4,7-8H2,1-3H3