(E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-fluoro-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-fluorophenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-fluorophenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-fluoro-phenyl)-2-o-toluoyl-acrylonitrile Formula: C17H11BrFNO MolecularWeight: 344.177743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC(=C(C=C2)F)Br)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC(=C(C=C2)F)Br)/C#N

InChI

InChI=1S/C17H11BrFNO/c1-11-4-2-3-5-14(11)17(21)13(10-20)8-12-6-7-16(19)15(18)9-12/h2-9H,1H3/b13-8+