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

Systemtic Name: (E)-2-acetamido-3-[3,5-bis(iodanyl)-4-propoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3,5-diiodo-4-propoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3,5-diiodo-4-propoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3,5-diiodo-4-propoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3,5-diiodo-4-propoxy-phenyl)acrylic acid Formula: C14H15I2NO4 MolecularWeight: 515.08214

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=C(C(=O)O)NC(=O)C)I

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)/C=C(\C(=O)O)/NC(=O)C)I

InChI

InChI=1S/C14H15I2NO4/c1-3-4-21-13-10(15)5-9(6-11(13)16)7-12(14(19)20)17-8(2)18/h5-7H,3-4H2,1-2H3,(H,17,18)(H,19,20)/b12-7+