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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCC#N)C(F)(F)F

InChI

InChI=1S/C12H10F3NO/c13-12(14,15)10-6-4-9(5-7-10)11(17)3-1-2-8-16/h4-7H,1-3H2