(E)-2-acetamido-3-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-ethoxy-4-hydroxy-5-iodo-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-ethoxy-4-hydroxy-5-iodophenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-ethoxy-4-hydroxy-5-iodo-phenyl)acrylic acid Formula: C13H14INO5 MolecularWeight: 391.15843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C)I)O

InChI

InChI=1S/C13H14INO5/c1-3-20-11-6-8(4-9(14)12(11)17)5-10(13(18)19)15-7(2)16/h4-6,17H,3H2,1-2H3,(H,15,16)(H,18,19)/b10-5+