(E)-3-[4-(cyanomethoxy)-3-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(cyanomethoxy)-3-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(cyanomethoxy)-3-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(cyanomethoxy)-3-ethoxy-phenyl]acrylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)O)OCC#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)O)OCC#N

InChI

InChI=1S/C13H13NO4/c1-2-17-12-9-10(4-6-13(15)16)3-5-11(12)18-8-7-14/h3-6,9H,2,8H2,1H3,(H,15,16)/b6-4+