5-azanyl-2,4,6-tris(iodanyl)-N1-(2-oxidanylpropyl)-N3-[1,3,4-tris(oxidanyl)butan-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: 5-azanyl-2,4,6-tris(iodanyl)-N1-(2-oxidanylpropyl)-N3-[1,3,4-tris(oxidanyl)butan-2-yl]benzene-1,3-dicarboxamide Openeye Name: 5-amino-N3-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-N1-(2-hydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-amino-N1-(2-hydroxypropyl)-2,4,6-triiodo-N3-(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 5-amino-1-N-(2-hydroxypropyl)-2,4,6-triiodo-3-N-(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide Traditional Name: 5-amino-N'-(2,3-dihydroxy-1-methylol-propyl)-N-(2-hydroxypropyl)-2,4,6-triiodo-isophthalamide Formula: C15H20I3N3O6 MolecularWeight: 719.04921

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)NC(CO)C(CO)O)I)O

Isomeric SMILES

CC(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)NC(CO)C(CO)O)I)O

InChI

InChI=1S/C15H20I3N3O6/c1-5(24)2-20-14(26)8-10(16)9(12(18)13(19)11(8)17)15(27)21-6(3-22)7(25)4-23/h5-7,22-25H,2-4,19H2,1H3,(H,20,26)(H,21,27)