methyl 2-acetamido-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoate Openeye Name: methyl 2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoate CAS Name: 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoate Traditional Name: 2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid methyl ester Formula: C12H13I2NO4 MolecularWeight: 489.04486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)OC

InChI

InChI=1S/C12H13I2NO4/c1-6(16)15-10(12(18)19-2)5-7-3-8(13)11(17)9(14)4-7/h3-4,10,17H,5H2,1-2H3,(H,15,16)