ethyl 2-cyano-2,3,3-trimethyl-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: ethyl 2-cyano-2,3,3-trimethyl-4-oxidanylidene-4-phenyl-butanoate Openeye Name: ethyl 2-cyano-2,3,3-trimethyl-4-oxo-4-phenyl-butanoate CAS Name: 2-cyano-2,3,3-trimethyl-4-oxo-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2,3,3-trimethyl-4-oxo-4-phenylbutanoate Traditional Name: 2-cyano-4-keto-2,3,3-trimethyl-4-phenyl-butyric acid ethyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-5-20-14(19)16(4,11-17)15(2,3)13(18)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3