2,2-dimethyl-4-oxidanylidene-4-phenyl-butanenitrile

Systemtic Name: 2,2-dimethyl-4-oxidanylidene-4-phenyl-butanenitrile Openeye Name: 2,2-dimethyl-4-oxo-4-phenyl-butanenitrile CAS Name: 2,2-dimethyl-4-oxo-4-phenylbutanenitrile IUPAC Name: 2,2-dimethyl-4-oxo-4-phenylbutanenitrile Traditional Name: 4-keto-2,2-dimethyl-4-phenyl-butyronitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-12(2,9-13)8-11(14)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3