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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC#N)C=CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC#N)/C=C/C(=O)O

InChI

InChI=1S/C12H11NO4/c1-16-10-4-2-3-9(5-6-11(14)15)12(10)17-8-7-13/h2-6H,8H2,1H3,(H,14,15)/b6-5+