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

Systemtic Name: 2-[4-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]phenoxy]acetonitrile Formula: C18H14FNO3 MolecularWeight: 311.307063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OCC#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OCC#N)F

InChI

InChI=1S/C18H14FNO3/c1-22-18-9-3-13(12-16(18)19)2-8-17(21)14-4-6-15(7-5-14)23-11-10-20/h2-9,12H,11H2,1H3/b8-2+