(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(5-bromo-2-fluoro-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(5-bromo-2-fluorophenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(5-bromo-2-fluorophenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(5-bromo-2-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=C(C=CC(=C2)Br)F)C#N

Isomeric SMILES

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

InChI

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