2-[4-[(E)-3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(3-bromo-4-fluoro-phenyl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(3-bromo-4-fluorophenyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(3-bromo-4-fluoro-phenyl)acryloyl]phenoxy]acetonitrile Formula: C17H11BrFNO2 MolecularWeight: 360.177143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrFNO2/c18-15-11-12(1-7-16(15)19)2-8-17(21)13-3-5-14(6-4-13)22-10-9-20/h1-8,11H,10H2/b8-2+