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

Systemtic Name: (E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(3-bromo-4-fluoro-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(3-bromo-4-fluorophenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(3-bromo-4-fluorophenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(3-bromo-4-fluoro-phenyl)acrylonitrile Formula: C16H9BrFNO MolecularWeight: 330.151163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrFNO/c17-14-9-11(6-7-15(14)18)8-13(10-19)16(20)12-4-2-1-3-5-12/h1-9H/b13-8+