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

Systemtic Name: 3-acetamido-5-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[(2-amino-2-oxo-ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[(2-amino-2-oxoethyl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[(2-amino-2-keto-ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C12H10I3N3O5 MolecularWeight: 656.93831

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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)N)I

Isomeric SMILES

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

InChI

InChI=1S/C12H10I3N3O5/c1-3(19)18-10-8(14)5(11(21)17-2-4(16)20)7(13)6(9(10)15)12(22)23/h2H2,1H3,(H2,16,20)(H,17,21)(H,18,19)(H,22,23)