3-acetamido-5-[4-(hydroxymethyl)-4-methyl-5H-1,3-oxazol-2-yl]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 3-acetamido-5-[4-(hydroxymethyl)-4-methyl-5H-1,3-oxazol-2-yl]-2,4,6-tris(iodanyl)benzoate Openeye Name: 3-acetamido-5-[4-(hydroxymethyl)-4-methyl-5H-oxazol-2-yl]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[4-(hydroxymethyl)-4-methyl-5H-oxazol-2-yl]-2,4,6-triiodobenzoate IUPAC Name: 3-acetamido-5-[4-(hydroxymethyl)-4-methyl-5H-1,3-oxazol-2-yl]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-2,4,6-triiodo-5-(4-methyl-4-methylol-2-oxazolin-2-yl)benzoate Formula: C14H12I3N2O5- MolecularWeight: 668.96889

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C2=NC(CO2)(C)CO)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C2=NC(CO2)(C)CO)I

InChI

InChI=1S/C14H13I3N2O5/c1-5(21)18-11-9(16)6(8(15)7(10(11)17)13(22)23)12-19-14(2,3-20)4-24-12/h20H,3-4H2,1-2H3,(H,18,21)(H,22,23)/p-1