3-acetamido-5-(2-azanyl-2-oxidanylidene-ethyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-acetamido-5-(2-azanyl-2-oxidanylidene-ethyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-(2-amino-2-oxo-ethyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-(2-amino-2-oxoethyl)-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-(2-amino-2-oxoethyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(2-amino-2-keto-ethyl)-2,4,6-triiodo-benzoic acid Formula: C11H9I3N2O4 MolecularWeight: 613.91357

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)CC(=O)N)I)C(=O)O)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)CC(=O)N)I)C(=O)O)I

InChI

InChI=1S/C11H9I3N2O4/c1-3(17)16-10-8(13)4(2-5(15)18)7(12)6(9(10)14)11(19)20/h2H2,1H3,(H2,15,18)(H,16,17)(H,19,20)