(E)-3-[3-bromanyl-4-(cyanomethoxy)-5-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-4-(cyanomethoxy)-5-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-(cyanomethoxy)-5-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(cyanomethoxy)-5-ethoxy-phenyl]acrylic acid Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO4/c1-2-18-11-8-9(3-4-12(16)17)7-10(14)13(11)19-6-5-15/h3-4,7-8H,2,6H2,1H3,(H,16,17)/b4-3+