(E)-3-[2-(cyanomethoxy)-5-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(cyanomethoxy)-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(cyanomethoxy)-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(cyanomethoxy)-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(cyanomethoxy)-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(cyanomethoxy)-5-methoxy-phenyl]acrylic acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4/c1-16-10-3-4-11(17-7-6-13)9(8-10)2-5-12(14)15/h2-5,8H,7H2,1H3,(H,14,15)/b5-2+