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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO4/c1-17-11-6-8(5-10(14)12(11)18-2)4-9(7-15)13(16)19-3/h4-6H,1-3H3/b9-4+