3-azanyl-2,4,6-tris(iodanyl)-5-[2-(methylcarbamoyl)pyrrolidin-1-yl]carbonyl-benzoic acid

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-[2-(methylcarbamoyl)pyrrolidin-1-yl]carbonyl-benzoic acid Openeye Name: 3-amino-2,4,6-triiodo-5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]benzoic acid CAS Name: 3-amino-2,4,6-triiodo-5-[[2-(methylcarbamoyl)-1-pyrrolidinyl]-oxomethyl]benzoic acid IUPAC Name: 3-amino-2,4,6-triiodo-5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]benzoic acid Traditional Name: 3-amino-2,4,6-triiodo-5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]benzoic acid Formula: C14H14I3N3O4 MolecularWeight: 668.99207

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCCN1C(=O)C2=C(C(=C(C(=C2I)N)I)C(=O)O)I

Isomeric SMILES

CNC(=O)C1CCCN1C(=O)C2=C(C(=C(C(=C2I)N)I)C(=O)O)I

InChI

InChI=1S/C14H14I3N3O4/c1-19-12(21)5-3-2-4-20(5)13(22)6-8(15)7(14(23)24)10(17)11(18)9(6)16/h5H,2-4,18H2,1H3,(H,19,21)(H,23,24)