3-[azanyl-(2-methyl-3-oxidanylidene-butanoyl)carbamoyl]-2,4,6-tris(iodanyl)benzamide

Systemtic Name: 3-[azanyl-(2-methyl-3-oxidanylidene-butanoyl)carbamoyl]-2,4,6-tris(iodanyl)benzamide Openeye Name: 3-[amino-(2-methyl-3-oxo-butanoyl)carbamoyl]-2,4,6-triiodo-benzamide CAS Name: 3-[[amino-(2-methyl-1,3-dioxobutyl)amino]-oxomethyl]-2,4,6-triiodobenzamide IUPAC Name: 3-[amino-(2-methyl-3-oxobutanoyl)carbamoyl]-2,4,6-triiodobenzamide Traditional Name: 3-[amino-(3-keto-2-methyl-butanoyl)carbamoyl]-2,4,6-triiodo-benzamide Formula: C13H12I3N3O4 MolecularWeight: 654.96549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12I3N3O4/c1-4(5(2)20)12(22)19(18)13(23)9-7(15)3-6(14)8(10(9)16)11(17)21/h3-4H,18H2,1-2H3,(H2,17,21)