methyl (E)-3-[4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(2-bromo-4,5-dimethoxyphenyl)propanoyloxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-acrylic acid methyl ester Formula: C23H22BrNO7 MolecularWeight: 504.32728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)CCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C23H22BrNO7/c1-28-19-10-14(9-16(13-25)23(27)31-4)5-7-18(19)32-22(26)8-6-15-11-20(29-2)21(30-3)12-17(15)24/h5,7,9-12H,6,8H2,1-4H3/b16-9+