4-[[2-bromanyl-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-bromanyl-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-bromo-4-[(E)-2-cyano-2-(4-fluorophenyl)vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-bromo-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-bromo-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-bromo-4-[(E)-2-cyano-2-(4-fluorophenyl)vinyl]phenoxy]methyl]benzoate Formula: C23H14BrFNO3- MolecularWeight: 451.264563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)F)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)/C=C(/C#N)\C3=CC=C(C=C3)F)Br)C(=O)[O-]

InChI

InChI=1S/C23H15BrFNO3/c24-21-12-16(11-19(13-26)17-6-8-20(25)9-7-17)3-10-22(21)29-14-15-1-4-18(5-2-15)23(27)28/h1-12H,14H2,(H,27,28)/p-1/b19-11-