2-methyl-4-oxidanylidene-4-[3-(trifluoromethyl)phenyl]butanenitrile

Systemtic Name: 2-methyl-4-oxidanylidene-4-[3-(trifluoromethyl)phenyl]butanenitrile Openeye Name: 2-methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanenitrile CAS Name: 2-methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanenitrile IUPAC Name: 2-methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanenitrile Traditional Name: 4-keto-2-methyl-4-[3-(trifluoromethyl)phenyl]butyronitrile Formula: C12H10F3NO MolecularWeight: 241.20911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3NO/c1-8(7-16)5-11(17)9-3-2-4-10(6-9)12(13,14)15/h2-4,6,8H,5H2,1H3