N-ethanoylethanamide; 2,4,6-tris(iodanyl)-3-(methylcarbamoyl)benzoic acid

Systemtic Name: N-ethanoylethanamide; 2,4,6-tris(iodanyl)-3-(methylcarbamoyl)benzoic acid Openeye Name: N-acetylacetamide; 2,4,6-triiodo-3-(methylcarbamoyl)benzoic acid CAS Name: N-acetylacetamide; 2,4,6-triiodo-3-(methylcarbamoyl)benzoic acid IUPAC Name: N-acetylacetamide; 2,4,6-triiodo-3-(methylcarbamoyl)benzoic acid Traditional Name: diacetamide; 2,4,6-triiodo-3-(methylcarbamoyl)benzoic acid Formula: C13H13I3N2O5 MolecularWeight: 657.96613

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)C.CNC(=O)C1=C(C(=C(C=C1I)I)C(=O)O)I

Isomeric SMILES

CC(=O)NC(=O)C.CNC(=O)C1=C(C(=C(C=C1I)I)C(=O)O)I

InChI

InChI=1S/C9H6I3NO3.C4H7NO2/c1-13-8(14)5-3(10)2-4(11)6(7(5)12)9(15)16;1-3(6)5-4(2)7/h2H,1H3,(H,13,14)(H,15,16);1-2H3,(H,5,6,7)