(E)-2-acetamido-3-[4-ethoxy-3,5-bis(iodanyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[4-ethoxy-3,5-bis(iodanyl)phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-ethoxy-3,5-diiodo-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(4-ethoxy-3,5-diiodophenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-ethoxy-3,5-diiodo-phenyl)acrylic acid Formula: C13H13I2NO4 MolecularWeight: 501.05556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C=C(C(=O)O)NC(=O)C)I

Isomeric SMILES

CCOC1=C(C=C(C=C1I)/C=C(\C(=O)O)/NC(=O)C)I

InChI

InChI=1S/C13H13I2NO4/c1-3-20-12-9(14)4-8(5-10(12)15)6-11(13(18)19)16-7(2)17/h4-6H,3H2,1-2H3,(H,16,17)(H,18,19)/b11-6+