3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]octanenitrile

Systemtic Name: 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]octanenitrile Openeye Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]octanenitrile CAS Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]octanenitrile IUPAC Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]octanenitrile Traditional Name: 3-keto-2-[3-(trifluoromethyl)phenyl]caprylonitrile Formula: C15H16F3NO MolecularWeight: 283.28885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16F3NO/c1-2-3-4-8-14(20)13(10-19)11-6-5-7-12(9-11)15(16,17)18/h5-7,9,13H,2-4,8H2,1H3