acetamido 3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoate

Systemtic Name: acetamido 3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoate Openeye Name: acetamido 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoate CAS Name: 3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid acetamido ester IUPAC Name: acetamido 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate Traditional Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid acetamido ester Formula: C12H11I3N2O5 MolecularWeight: 643.93955

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NOC(=O)C1=C(C=C(C(=C1I)C(=O)NCCO)I)I

Isomeric SMILES

CC(=O)NOC(=O)C1=C(C=C(C(=C1I)C(=O)NCCO)I)I

InChI

InChI=1S/C12H11I3N2O5/c1-5(19)17-22-12(21)9-7(14)4-6(13)8(10(9)15)11(20)16-2-3-18/h4,18H,2-3H2,1H3,(H,16,20)(H,17,19)