5-azanyl-N1-(2-hydroxyethyl)-2,4,6-tris(iodanyl)-N3-(2-oxidanylpropyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-azanyl-N1-(2-hydroxyethyl)-2,4,6-tris(iodanyl)-N3-(2-oxidanylpropyl)benzene-1,3-dicarboxamide Openeye Name: 5-amino-N1-(2-hydroxyethyl)-N3-(2-hydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-amino-N1-(2-hydroxyethyl)-N3-(2-hydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-amino-1-N-(2-hydroxyethyl)-3-N-(2-hydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-amino-N-(2-hydroxyethyl)-N'-(2-hydroxypropyl)-2,4,6-triiodo-isophthalamide Formula: C13H16I3N3O4 MolecularWeight: 658.99725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16I3N3O4/c1-5(21)4-19-13(23)7-8(14)6(12(22)18-2-3-20)9(15)11(17)10(7)16/h5,20-21H,2-4,17H2,1H3,(H,18,22)(H,19,23)