2-[2-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=CC=C2OCC#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC=C2OCC#N)F

InChI

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