3-acetamido-2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)benzoic acid

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)benzoic acid Openeye Name: 3-acetamido-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid CAS Name: 3-acetamido-2,4,6-triiodo-5-[(2-methoxy-1-oxoethyl)amino]benzoic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid Traditional Name: 3-acetamido-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid Formula: C12H11I3N2O5 MolecularWeight: 643.93955

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)COC)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)COC)I

InChI

InChI=1S/C12H11I3N2O5/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(19)3-22-2/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)