4-methoxy-2-[2-methyl-5-(trifluoromethyl)phenyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 4-methoxy-2-[2-methyl-5-(trifluoromethyl)phenyl]-3-oxidanylidene-butanenitrile Openeye Name: 4-methoxy-2-[2-methyl-5-(trifluoromethyl)phenyl]-3-oxo-butanenitrile CAS Name: 4-methoxy-2-[2-methyl-5-(trifluoromethyl)phenyl]-3-oxobutanenitrile IUPAC Name: 4-methoxy-2-[2-methyl-5-(trifluoromethyl)phenyl]-3-oxobutanenitrile Traditional Name: 3-keto-4-methoxy-2-[2-methyl-5-(trifluoromethyl)phenyl]butyronitrile Formula: C13H12F3NO2 MolecularWeight: 271.23509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(F)(F)F)C(C#N)C(=O)COC

Isomeric SMILES

CC1=C(C=C(C=C1)C(F)(F)F)C(C#N)C(=O)COC

InChI

InChI=1S/C13H12F3NO2/c1-8-3-4-9(13(14,15)16)5-10(8)11(6-17)12(18)7-19-2/h3-5,11H,7H2,1-2H3