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

Systemtic Name: 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]hexanenitrile Openeye Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile CAS Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile IUPAC Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile Traditional Name: 3-keto-2-[3-(trifluoromethyl)phenyl]hexanenitrile Formula: C13H12F3NO MolecularWeight: 255.23569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3NO/c1-2-4-12(18)11(8-17)9-5-3-6-10(7-9)13(14,15)16/h3,5-7,11H,2,4H2,1H3