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

Systemtic Name: 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 3-keto-2-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C12H10F3NO MolecularWeight: 241.20911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3NO/c1-2-11(17)10(7-16)8-4-3-5-9(6-8)12(13,14)15/h3-6,10H,2H2,1H3