4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]benzonitrile Formula: C16H9BrFNO MolecularWeight: 330.151163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C16H9BrFNO/c17-14-6-7-15(18)13(9-14)5-8-16(20)12-3-1-11(10-19)2-4-12/h1-9H/b8-5+