(1-cyanoindolizin-2-yl)methyl (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-propenoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)acrylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H17ClN2O4 MolecularWeight: 396.82368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC2=CN3C=CC=CC3=C2C#N)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC2=CN3C=CC=CC3=C2C#N)Cl)OC

InChI

InChI=1S/C21H17ClN2O4/c1-26-19-10-14(9-17(22)21(19)27-2)6-7-20(25)28-13-15-12-24-8-4-3-5-18(24)16(15)11-23/h3-10,12H,13H2,1-2H3/b7-6+