2-[3-(trifluoromethyl)phenyl]carbonylbutanenitrile

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]carbonylbutanenitrile Openeye Name: 2-[3-(trifluoromethyl)benzoyl]butanenitrile CAS Name: 2-[oxo-[3-(trifluoromethyl)phenyl]methyl]butanenitrile IUPAC Name: 2-[3-(trifluoromethyl)benzoyl]butanenitrile Traditional Name: 2-[3-(trifluoromethyl)benzoyl]butyronitrile Formula: C12H10F3NO MolecularWeight: 241.20911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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