5-methyl-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]hexanenitrile

Systemtic Name: 5-methyl-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]hexanenitrile Openeye Name: 5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile CAS Name: 5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile IUPAC Name: 5-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile Traditional Name: 3-keto-5-methyl-2-[3-(trifluoromethyl)phenyl]hexanenitrile Formula: C14H14F3NO MolecularWeight: 269.26227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3NO/c1-9(2)6-13(19)12(8-18)10-4-3-5-11(7-10)14(15,16)17/h3-5,7,9,12H,6H2,1-2H3