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

Systemtic Name: 3-cyano-5-[2-hydroxyethyl(methyl)carbamoyl]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-cyano-5-[2-hydroxyethyl(methyl)carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-cyano-5-[[2-hydroxyethyl(methyl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-cyano-5-[2-hydroxyethyl(methyl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-cyano-5-[2-hydroxyethyl(methyl)carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C12H9I3N2O4 MolecularWeight: 625.92427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9I3N2O4/c1-17(2-3-18)11(19)6-8(13)5(4-16)9(14)7(10(6)15)12(20)21/h18H,2-3H2,1H3,(H,20,21)