N3-[1,3-bis(oxidanyl)propan-2-yl]-5-[3-(hydroxymethyl)-5-oxidanylidene-morpholin-4-yl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: N3-[1,3-bis(oxidanyl)propan-2-yl]-5-[3-(hydroxymethyl)-5-oxidanylidene-morpholin-4-yl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: N3-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[3-(hydroxymethyl)-5-oxo-morpholin-4-yl]-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: N3-(1,3-dihydroxypropan-2-yl)-5-[3-(hydroxymethyl)-5-oxo-4-morpholinyl]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 3-N-(1,3-dihydroxypropan-2-yl)-5-[3-(hydroxymethyl)-5-oxomorpholin-4-yl]-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: N'-(2-hydroxy-1-methylol-ethyl)-2,4,6-triiodo-5-(3-keto-5-methylol-morpholino)isophthalamide Formula: C16H18I3N3O7 MolecularWeight: 745.04343

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CO1)C2=C(C(=C(C(=C2I)C(=O)NC(CO)CO)I)C(=O)N)I)CO

Isomeric SMILES

C1C(N(C(=O)CO1)C2=C(C(=C(C(=C2I)C(=O)NC(CO)CO)I)C(=O)N)I)CO

InChI

InChI=1S/C16H18I3N3O7/c17-11-9(15(20)27)12(18)14(22-7(3-25)4-29-5-8(22)26)13(19)10(11)16(28)21-6(1-23)2-24/h6-7,23-25H,1-5H2,(H2,20,27)(H,21,28)