7-(2-bromophenyl)-4-methoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 7-(2-bromophenyl)-4-methoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 7-(2-bromophenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 7-(2-bromophenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 7-(2-bromophenyl)-4-methoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 7-(2-bromophenyl)-3-keto-4-methoxy-2-[3-(trifluoromethyl)phenyl]enanthonitrile Formula: C21H19BrF3NO2 MolecularWeight: 454.28027

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCCC1=CC=CC=C1Br)C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

COC(CCCC1=CC=CC=C1Br)C(=O)C(C#N)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C21H19BrF3NO2/c1-28-19(11-5-7-14-6-2-3-10-18(14)22)20(27)17(13-26)15-8-4-9-16(12-15)21(23,24)25/h2-4,6,8-10,12,17,19H,5,7,11H2,1H3