(E)-2-(3-methylphenyl)carbonyl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(3-methylbenzoyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-[3-(trifluoromethyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(3-methylbenzoyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile Traditional Name: (E)-2-m-toluoyl-3-[3-(trifluoromethyl)phenyl]acrylonitrile Formula: C18H12F3NO MolecularWeight: 315.28919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC(=CC=C2)C(F)(F)F)/C#N

InChI

InChI=1S/C18H12F3NO/c1-12-4-2-6-14(8-12)17(23)15(11-22)9-13-5-3-7-16(10-13)18(19,20)21/h2-10H,1H3/b15-9+