3-[(E)-6,6-dimethyl-5-oxidanylidene-hept-3-en-3-yl]benzenecarbonitrile

Systemtic Name: 3-[(E)-6,6-dimethyl-5-oxidanylidene-hept-3-en-3-yl]benzenecarbonitrile Openeye Name: 3-[(E)-1-ethyl-4,4-dimethyl-3-oxo-pent-1-enyl]benzonitrile CAS Name: 3-[(E)-6,6-dimethyl-5-oxohept-3-en-3-yl]benzonitrile IUPAC Name: 3-[(E)-6,6-dimethyl-5-oxohept-3-en-3-yl]benzonitrile Traditional Name: 3-[(E)-1-ethyl-3-keto-4,4-dimethyl-pent-1-enyl]benzonitrile Formula: C16H19NO MolecularWeight: 241.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO/c1-5-13(10-15(18)16(2,3)4)14-8-6-7-12(9-14)11-17/h6-10H,5H2,1-4H3/b13-10+