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

Systemtic Name: (E)-3-[2-(cyanomethoxy)-3-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(cyanomethoxy)-3-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(cyanomethoxy)-3-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(cyanomethoxy)-3-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(cyanomethoxy)-3-ethoxy-phenyl]acrylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC#N)C=CC(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1OCC#N)/C=C/C(=O)O

InChI

InChI=1S/C13H13NO4/c1-2-17-11-5-3-4-10(6-7-12(15)16)13(11)18-9-8-14/h3-7H,2,9H2,1H3,(H,15,16)/b7-6+