2,4,6-tris(iodanyl)-N1,N3-dimethyl-5-(2-oxidanylbutanoylamino)benzene-1,3-dicarboxamide

Systemtic Name: 2,4,6-tris(iodanyl)-N1,N3-dimethyl-5-(2-oxidanylbutanoylamino)benzene-1,3-dicarboxamide Openeye Name: 5-(2-hydroxybutanoylamino)-2,4,6-triiodo-N1,N3-dimethyl-benzene-1,3-dicarboxamide CAS Name: 5-[(2-hydroxy-1-oxobutyl)amino]-2,4,6-triiodo-N1,N3-dimethylbenzene-1,3-dicarboxamide IUPAC Name: 5-(2-hydroxybutanoylamino)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide Traditional Name: 5-(2-hydroxybutanoylamino)-2,4,6-triiodo-N,N'-dimethyl-isophthalamide Formula: C14H16I3N3O4 MolecularWeight: 671.00795

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I)O

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)NC)I)O

InChI

InChI=1S/C14H16I3N3O4/c1-4-5(21)12(22)20-11-9(16)6(13(23)18-2)8(15)7(10(11)17)14(24)19-3/h5,21H,4H2,1-3H3,(H,18,23)(H,19,24)(H,20,22)