4,4-dimethyl-3-oxidanylidene-2-(4-propan-2-ylphenyl)pentanenitrile

Systemtic Name: 4,4-dimethyl-3-oxidanylidene-2-(4-propan-2-ylphenyl)pentanenitrile Openeye Name: 2-(4-isopropylphenyl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-3-oxo-2-(4-propan-2-ylphenyl)pentanenitrile IUPAC Name: 4,4-dimethyl-3-oxo-2-(4-propan-2-ylphenyl)pentanenitrile Traditional Name: 3-keto-4,4-dimethyl-2-p-cumenyl-valeronitrile Formula: C16H21NO MolecularWeight: 243.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO/c1-11(2)12-6-8-13(9-7-12)14(10-17)15(18)16(3,4)5/h6-9,11,14H,1-5H3