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

Systemtic Name: 2-[2-bromanyl-3-(trifluoromethyl)phenyl]-4-methoxy-3-oxidanylidene-butanenitrile Openeye Name: 2-[2-bromo-3-(trifluoromethyl)phenyl]-4-methoxy-3-oxo-butanenitrile CAS Name: 2-[2-bromo-3-(trifluoromethyl)phenyl]-4-methoxy-3-oxobutanenitrile IUPAC Name: 2-[2-bromo-3-(trifluoromethyl)phenyl]-4-methoxy-3-oxobutanenitrile Traditional Name: 2-[2-bromo-3-(trifluoromethyl)phenyl]-3-keto-4-methoxy-butyronitrile Formula: C12H9BrF3NO2 MolecularWeight: 336.10457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrF3NO2/c1-19-6-10(18)8(5-17)7-3-2-4-9(11(7)13)12(14,15)16/h2-4,8H,6H2,1H3