ethyl 5-cyano-5-(2,6-dimethylphenyl)-4-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-cyano-5-(2,6-dimethylphenyl)-4-oxidanylidene-pentanoate Openeye Name: ethyl 5-cyano-5-(2,6-dimethylphenyl)-4-oxo-pentanoate CAS Name: 5-cyano-5-(2,6-dimethylphenyl)-4-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-cyano-5-(2,6-dimethylphenyl)-4-oxopentanoate Traditional Name: 5-cyano-5-(2,6-dimethylphenyl)-4-keto-valeric acid ethyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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