4-[(E)-2-[3-bromanyl-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]-1-cyano-ethenyl]benzoate

Systemtic Name: 4-[(E)-2-[3-bromanyl-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]-1-cyano-ethenyl]benzoate Openeye Name: 4-[(E)-2-[3-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxy-phenyl]-1-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-[3-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]-1-cyanoethenyl]benzoate IUPAC Name: 4-[(E)-2-[3-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]-1-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-[3-bromo-4-(2-cyanobenzyl)oxy-5-methoxy-phenyl]-1-cyano-vinyl]benzoate Formula: C25H16BrN2O4- MolecularWeight: 488.30954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)[O-])Br)OCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)[O-])Br)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C25H17BrN2O4/c1-31-23-12-16(10-21(14-28)17-6-8-18(9-7-17)25(29)30)11-22(26)24(23)32-15-20-5-3-2-4-19(20)13-27/h2-12H,15H2,1H3,(H,29,30)/p-1/b21-10-