4-[(E)-2-[3-bromanyl-4-[(4-fluorophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoate

Systemtic Name: 4-[(E)-2-[3-bromanyl-4-[(4-fluorophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoate Openeye Name: 4-[(E)-2-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoate IUPAC Name: 4-[(E)-2-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-[3-bromo-4-(4-fluorobenzyl)oxy-phenyl]-1-cyano-vinyl]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)C(=O)[O-])Br)F

Isomeric SMILES

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

InChI

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