3-aminocarbonyl-5-[2-hydroxyethyl(methyl)carbamoyl]-2,4,6-tris(iodanyl)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)O)I

Isomeric SMILES

CN(CCO)C(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)O)I

InChI

InChI=1S/C12H11I3N2O5/c1-17(2-3-18)11(20)5-7(13)4(10(16)19)8(14)6(9(5)15)12(21)22/h18H,2-3H2,1H3,(H2,16,19)(H,21,22)