5-acetamido-2,4,6-tris(iodanyl)-3-(methylcarbamoyl)cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-acetamido-2,4,6-tris(iodanyl)-3-(methylcarbamoyl)cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-acetamido-2,4,6-triiodo-3-(methylcarbamoyl)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-acetamido-2,4,6-triiodo-3-(methylcarbamoyl)-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-acetamido-2,4,6-triiodo-3-(methylcarbamoyl)cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-acetamido-2,4,6-triiodo-3-(methylcarbamoyl)cyclohexa-1,3-diene-1-carboxylic acid Formula: C11H11I3N2O4 MolecularWeight: 615.92945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(=C(C(=C1I)C(=O)NC)I)C(=O)O)I

Isomeric SMILES

CC(=O)NC1C(C(=C(C(=C1I)C(=O)NC)I)C(=O)O)I

InChI

InChI=1S/C11H11I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h8-9H,1-2H3,(H,15,18)(H,16,17)(H,19,20)