3-[2-(2-iodanylethanoylamino)propanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(2-iodanylethanoylamino)propanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-[2-[(2-iodoacetyl)amino]propanoylamino]benzoic acid CAS Name: 2-hydroxy-3-[[2-[(2-iodo-1-oxoethyl)amino]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-[2-[(2-iodoacetyl)amino]propanoylamino]benzoic acid Traditional Name: 2-hydroxy-3-[2-[(2-iodoacetyl)amino]propanoylamino]benzoic acid Formula: C12H13IN2O5 MolecularWeight: 392.14649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1O)C(=O)O)NC(=O)CI

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1O)C(=O)O)NC(=O)CI

InChI

InChI=1S/C12H13IN2O5/c1-6(14-9(16)5-13)11(18)15-8-4-2-3-7(10(8)17)12(19)20/h2-4,6,17H,5H2,1H3,(H,14,16)(H,15,18)(H,19,20)