3-[[4-[(E)-2-(4-bromophenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoate

Systemtic Name: 3-[[4-[(E)-2-(4-bromophenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoate Openeye Name: 3-[[4-[(E)-2-(4-bromophenyl)-2-cyano-vinyl]phenoxy]methyl]benzoate CAS Name: 3-[[4-[(E)-2-(4-bromophenyl)-2-cyanoethenyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[4-[(E)-2-(4-bromophenyl)-2-cyanoethenyl]phenoxy]methyl]benzoate Traditional Name: 3-[[4-[(E)-2-(4-bromophenyl)-2-cyano-vinyl]phenoxy]methyl]benzoate Formula: C23H15BrNO3- MolecularWeight: 433.2741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)/C=C(/C#N)\C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C23H16BrNO3/c24-21-8-6-18(7-9-21)20(14-25)12-16-4-10-22(11-5-16)28-15-17-2-1-3-19(13-17)23(26)27/h1-13H,15H2,(H,26,27)/p-1/b20-12-