2,4,6-tris(iodanyl)-5-[(3-oxidanyl-2-oxidanylidene-butyl)amino]benzene-1,3-dicarboxamide

Systemtic Name: 2,4,6-tris(iodanyl)-5-[(3-oxidanyl-2-oxidanylidene-butyl)amino]benzene-1,3-dicarboxamide Openeye Name: 5-[(3-hydroxy-2-oxo-butyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[(3-hydroxy-2-oxobutyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-[(3-hydroxy-2-oxobutyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[(3-hydroxy-2-keto-butyl)amino]-2,4,6-triiodo-isophthalamide Formula: C12H12I3N3O4 MolecularWeight: 642.95479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CNC1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)N)I)O

Isomeric SMILES

CC(C(=O)CNC1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)N)I)O

InChI

InChI=1S/C12H12I3N3O4/c1-3(19)4(20)2-18-10-8(14)5(11(16)21)7(13)6(9(10)15)12(17)22/h3,18-19H,2H2,1H3,(H2,16,21)(H2,17,22)