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

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-[2-(methylcarbamoyl)pyrrolidin-1-yl]carbonyl-benzoic acid Openeye Name: 3-acetamido-2,4,6-triiodo-5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]benzoic acid CAS Name: 3-acetamido-2,4,6-triiodo-5-[[2-(methylcarbamoyl)-1-pyrrolidinyl]-oxomethyl]benzoic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]benzoic acid Traditional Name: 3-acetamido-2,4,6-triiodo-5-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]benzoic acid Formula: C16H16I3N3O5 MolecularWeight: 711.02875

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N2CCCC2C(=O)NC)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N2CCCC2C(=O)NC)I

InChI

InChI=1S/C16H16I3N3O5/c1-6(23)21-13-11(18)8(10(17)9(12(13)19)16(26)27)15(25)22-5-3-4-7(22)14(24)20-2/h7H,3-5H2,1-2H3,(H,20,24)(H,21,23)(H,26,27)