[4-cyano-2-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl] 3-methylbutanoate

Systemtic Name: [4-cyano-2-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl] 3-methylbutanoate Openeye Name: [4-cyano-2-(1,1-dimethyl-2-oxo-ethyl)phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-cyano-2-(2-methyl-1-oxopropan-2-yl)phenyl] ester IUPAC Name: [4-cyano-2-(2-methyl-1-oxopropan-2-yl)phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-cyano-2-(2-keto-1,1-dimethyl-ethyl)phenyl] ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C(C=C(C=C1)C#N)C(C)(C)C=O

Isomeric SMILES

CC(C)CC(=O)OC1=C(C=C(C=C1)C#N)C(C)(C)C=O

InChI

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