3-acetamido-5-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-2,3,6-tris(iodanyl)cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-acetamido-5-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-2,3,6-tris(iodanyl)cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-acetamido-5-[(2-amino-2-oxo-ethyl)carbamoyl]-2,3,6-triiodo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-acetamido-5-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-2,3,6-triiodo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-acetamido-5-[(2-amino-2-oxoethyl)carbamoyl]-2,3,6-triiodocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-acetamido-5-[(2-amino-2-keto-ethyl)carbamoyl]-2,3,6-triiodo-cyclohexa-1,4-diene-1-carboxylic acid Formula: C12H12I3N3O5 MolecularWeight: 658.95419

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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/C12H12I3N3O5/c1-4(19)18-12(15)2-5(10(21)17-3-6(16)20)8(13)7(9(12)14)11(22)23/h2,8H,3H2,1H3,(H2,16,20)(H,17,21)(H,18,19)(H,22,23)