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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I)O

Isomeric SMILES

CC(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I)O

InChI

InChI=1S/C11H11I3N2O4/c1-3(17)2-16-10(18)4-6(12)5(11(19)20)8(14)9(15)7(4)13/h3,17H,2,15H2,1H3,(H,16,18)(H,19,20)