cyanomethyl (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: cyanomethyl (E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)acrylic acid cyanomethyl ester Formula: C13H12ClNO4 MolecularWeight: 281.69168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC#N)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC#N)Cl)OC

InChI

InChI=1S/C13H12ClNO4/c1-17-11-8-9(7-10(14)13(11)18-2)3-4-12(16)19-6-5-15/h3-4,7-8H,6H2,1-2H3/b4-3+