N-(2-azanylethyl)-2-iodanyl-ethanamide; 4-(2-iodanylethanoylamino)-2-oxidanyl-benzoic acid

Systemtic Name: N-(2-azanylethyl)-2-iodanyl-ethanamide; 4-(2-iodanylethanoylamino)-2-oxidanyl-benzoic acid Openeye Name: N-(2-aminoethyl)-2-iodo-acetamide; 2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid CAS Name: N-(2-aminoethyl)-2-iodoacetamide; 2-hydroxy-4-[(2-iodo-1-oxoethyl)amino]benzoic acid IUPAC Name: N-(2-aminoethyl)-2-iodoacetamide; 2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid Traditional Name: N-(2-aminoethyl)-2-iodo-acetamide; 2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid Formula: C13H17I2N3O5 MolecularWeight: 549.10012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CI)O)C(=O)O.C(CNC(=O)CI)N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CI)O)C(=O)O.C(CNC(=O)CI)N

InChI

InChI=1S/C9H8INO4.C4H9IN2O/c10-4-8(13)11-5-1-2-6(9(14)15)7(12)3-5;5-3-4(8)7-2-1-6/h1-3,12H,4H2,(H,11,13)(H,14,15);1-3,6H2,(H,7,8)