ethyl 5-cyano-5-(2-methylphenyl)-4-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-cyano-5-(2-methylphenyl)-4-oxidanylidene-pentanoate Openeye Name: ethyl 5-cyano-5-(o-tolyl)-4-oxo-pentanoate CAS Name: 5-cyano-5-(2-methylphenyl)-4-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-cyano-5-(2-methylphenyl)-4-oxopentanoate Traditional Name: 5-cyano-4-keto-5-(o-tolyl)valeric acid ethyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C(C#N)C1=CC=CC=C1C

Isomeric SMILES

CCOC(=O)CCC(=O)C(C#N)C1=CC=CC=C1C

InChI

InChI=1S/C15H17NO3/c1-3-19-15(18)9-8-14(17)13(10-16)12-7-5-4-6-11(12)2/h4-7,13H,3,8-9H2,1-2H3