N3-[2,3-bis(oxidanyl)propyl]-N1-(2-hydroxyethyl)-2,4,6-tris(iodanyl)-5-[2-(methylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxamide

Systemtic Name: N3-[2,3-bis(oxidanyl)propyl]-N1-(2-hydroxyethyl)-2,4,6-tris(iodanyl)-5-[2-(methylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxamide Openeye Name: N3-(2,3-dihydroxypropyl)-N1-(2-hydroxyethyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxamide CAS Name: N3-(2,3-dihydroxypropyl)-N1-(2-hydroxyethyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]benzene-1,3-dicarboxamide IUPAC Name: 3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]benzene-1,3-dicarboxamide Traditional Name: N'-glyceryl-N-(2-hydroxyethyl)-2,4,6-triiodo-5-[2-keto-2-(methylamino)ethoxy]isophthalamide Formula: C16H20I3N3O7 MolecularWeight: 747.05931

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I

Isomeric SMILES

CNC(=O)COC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I

InChI

InChI=1S/C16H20I3N3O7/c1-20-8(26)6-29-14-12(18)9(15(27)21-2-3-23)11(17)10(13(14)19)16(28)22-4-7(25)5-24/h7,23-25H,2-6H2,1H3,(H,20,26)(H,21,27)(H,22,28)