3-oxidanylidene-5-[4-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 3-oxidanylidene-5-[4-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 3-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 3-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 3-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 3-keto-5-[4-(trifluoromethyl)phenyl]valeronitrile Formula: C12H10F3NO MolecularWeight: 241.20911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)CC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)CC#N)C(F)(F)F

InChI

InChI=1S/C12H10F3NO/c13-12(14,15)10-4-1-9(2-5-10)3-6-11(17)7-8-16/h1-2,4-5H,3,6-7H2