4-[[2-bromanyl-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[2-bromanyl-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoate Openeye Name: 4-[[2-bromo-4-[(Z)-2-cyano-2-(3-fluorophenyl)vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-bromo-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[2-bromo-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-bromo-4-[(Z)-2-cyano-2-(3-fluorophenyl)vinyl]phenoxy]methyl]benzoate Formula: C23H14BrFNO3- MolecularWeight: 451.264563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)F)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])Br)/C#N

InChI

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