3-azanyl-2,4,6-tris(iodanyl)-6-(2-oxidanylpropylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-6-(2-oxidanylpropylcarbamoyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 3-amino-6-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 3-amino-6-[(2-hydroxypropylamino)-oxomethyl]-2,4,6-triiodo-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 3-amino-6-(2-hydroxypropylcarbamoyl)-2,4,6-triiodocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 3-amino-6-(2-hydroxypropylcarbamoyl)-2,4,6-triiodo-cyclohexa-2,4-diene-1-carboxylic acid Formula: C11H13I3N2O4 MolecularWeight: 617.94533

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1(C=C(C(=C(C1C(=O)O)I)N)I)I)O

Isomeric SMILES

CC(CNC(=O)C1(C=C(C(=C(C1C(=O)O)I)N)I)I)O

InChI

InChI=1S/C11H13I3N2O4/c1-4(17)3-16-10(20)11(14)2-5(12)8(15)7(13)6(11)9(18)19/h2,4,6,17H,3,15H2,1H3,(H,16,20)(H,18,19)