4-[(E)-3-[3,4-bis(fluoranyl)phenyl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[3,4-bis(fluoranyl)phenyl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(3,4-difluorophenyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(3,4-difluorophenyl)acryloyl]benzonitrile Formula: C16H9F2NO MolecularWeight: 269.245566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9F2NO/c17-14-7-3-11(9-15(14)18)4-8-16(20)13-5-1-12(10-19)2-6-13/h1-9H/b8-4+