(E)-2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)acrylic acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=C(C#N)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C12H11NO4/c1-16-10-5-3-4-8(11(10)17-2)6-9(7-13)12(14)15/h3-6H,1-2H3,(H,14,15)/b9-6+