(Z)-2-(phenylcarbonyl)-3-[3-(trifluoromethyl)phenyl]but-2-enenitrile

Systemtic Name: (Z)-2-(phenylcarbonyl)-3-[3-(trifluoromethyl)phenyl]but-2-enenitrile Openeye Name: (Z)-2-benzoyl-3-[3-(trifluoromethyl)phenyl]but-2-enenitrile CAS Name: (Z)-2-benzoyl-3-[3-(trifluoromethyl)phenyl]-2-butenenitrile IUPAC Name: (Z)-2-benzoyl-3-[3-(trifluoromethyl)phenyl]but-2-enenitrile Traditional Name: (Z)-2-benzoyl-3-[3-(trifluoromethyl)phenyl]but-2-enenitrile Formula: C18H12F3NO MolecularWeight: 315.28919

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C/C(=C(\C#N)/C(=O)C1=CC=CC=C1)/C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H12F3NO/c1-12(14-8-5-9-15(10-14)18(19,20)21)16(11-22)17(23)13-6-3-2-4-7-13/h2-10H,1H3/b16-12-