4-[2-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxidanylidene-pentyl]benzenecarbonitrile

Systemtic Name: 4-[2-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxidanylidene-pentyl]benzenecarbonitrile Openeye Name: 4-[2-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxo-pentyl]benzonitrile CAS Name: 4-[2-(2,2-dimethyl-1-oxopropyl)-4,4-dimethyl-3-oxopentyl]benzonitrile IUPAC Name: 4-[2-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxopentyl]benzonitrile Traditional Name: 4-(3-keto-4,4-dimethyl-2-pivaloyl-pentyl)benzonitrile Formula: C19H25NO2 MolecularWeight: 299.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CC1=CC=C(C=C1)C#N)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)C(CC1=CC=C(C=C1)C#N)C(=O)C(C)(C)C

InChI

InChI=1S/C19H25NO2/c1-18(2,3)16(21)15(17(22)19(4,5)6)11-13-7-9-14(12-20)10-8-13/h7-10,15H,11H2,1-6H3