3-aminocarbonyl-2,4,6-tris(iodanyl)-5-(2-methoxyethylcarbamoyl)benzoic acid

Systemtic Name: 3-aminocarbonyl-2,4,6-tris(iodanyl)-5-(2-methoxyethylcarbamoyl)benzoic acid Openeye Name: 3-carbamoyl-2,4,6-triiodo-5-(2-methoxyethylcarbamoyl)benzoic acid CAS Name: 3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyethylamino)-oxomethyl]benzoic acid IUPAC Name: 3-carbamoyl-2,4,6-triiodo-5-(2-methoxyethylcarbamoyl)benzoic acid Traditional Name: 3-carbamoyl-2,4,6-triiodo-5-(2-methoxyethylcarbamoyl)benzoic acid Formula: C12H11I3N2O5 MolecularWeight: 643.93955

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)O)I

Isomeric SMILES

COCCNC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)O)I

InChI

InChI=1S/C12H11I3N2O5/c1-22-3-2-17-11(19)5-7(13)4(10(16)18)8(14)6(9(5)15)12(20)21/h2-3H2,1H3,(H2,16,18)(H,17,19)(H,20,21)