N3-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: N3-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: N3-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl]-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: N3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 3-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: N'-(3-hydroxy-2-methyl-2-methylol-propyl)-2,4,6-triiodo-isophthalamide Formula: C13H15I3N2O4 MolecularWeight: 643.98261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15I3N2O4/c1-13(4-19,5-20)3-18-12(22)9-7(15)2-6(14)8(10(9)16)11(17)21/h2,19-20H,3-5H2,1H3,(H2,17,21)(H,18,22)