3-cyano-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-cyano-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-cyano-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-cyano-5-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-cyano-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-cyano-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C11H7I3N2O4 MolecularWeight: 611.89769

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC(=O)C1=C(C(=C(C(=C1I)C#N)I)C(=O)O)I

Isomeric SMILES

C(CO)NC(=O)C1=C(C(=C(C(=C1I)C#N)I)C(=O)O)I

InChI

InChI=1S/C11H7I3N2O4/c12-7-4(3-15)8(13)6(11(19)20)9(14)5(7)10(18)16-1-2-17/h17H,1-2H2,(H,16,18)(H,19,20)