3-acetamido-2,4,6-tris(iodanyl)-5-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]benzoic acid

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]benzoic acid Openeye Name: 3-acetamido-2,4,6-triiodo-5-[[2-(methylamino)-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 3-acetamido-2,4,6-triiodo-5-[[[2-(methylamino)-2-oxoethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-acetamido-2,4,6-triiodo-5-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid Traditional Name: 3-acetamido-2,4,6-triiodo-5-[[2-keto-2-(methylamino)ethyl]carbamoyl]benzoic acid Formula: C13H12I3N3O5 MolecularWeight: 670.96489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12I3N3O5/c1-4(20)19-11-9(15)6(12(22)18-3-5(21)17-2)8(14)7(10(11)16)13(23)24/h3H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)