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

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-(2-methoxyethylcarbamoyl)benzoic acid Openeye Name: 3-amino-2,4,6-triiodo-5-(2-methoxyethylcarbamoyl)benzoic acid CAS Name: 3-amino-2,4,6-triiodo-5-[(2-methoxyethylamino)-oxomethyl]benzoic acid IUPAC Name: 3-amino-2,4,6-triiodo-5-(2-methoxyethylcarbamoyl)benzoic acid Traditional Name: 3-amino-2,4,6-triiodo-5-(2-methoxyethylcarbamoyl)benzoic acid Formula: C11H11I3N2O4 MolecularWeight: 615.92945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11I3N2O4/c1-20-3-2-16-10(17)4-6(12)5(11(18)19)8(14)9(15)7(4)13/h2-3,15H2,1H3,(H,16,17)(H,18,19)