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

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)phenyl]-4-methoxy-3-oxidanylidene-butanenitrile Openeye Name: 2-[3-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-oxo-butanenitrile CAS Name: 2-[3-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-oxobutanenitrile IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-oxobutanenitrile Traditional Name: 2-[3-chloro-5-(trifluoromethyl)phenyl]-3-keto-4-methoxy-butyronitrile Formula: C12H9ClF3NO2 MolecularWeight: 291.65357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClF3NO2/c1-19-6-11(18)10(5-17)7-2-8(12(14,15)16)4-9(13)3-7/h2-4,10H,6H2,1H3