3-(5-iodanyl-4-nitro-imidazol-1-yl)propane-1,2-diol

Systemtic Name: 3-(5-iodanyl-4-nitro-imidazol-1-yl)propane-1,2-diol Openeye Name: 3-(5-iodo-4-nitro-imidazol-1-yl)propane-1,2-diol CAS Name: 3-(5-iodo-4-nitro-1-imidazolyl)propane-1,2-diol IUPAC Name: 3-(5-iodo-4-nitroimidazol-1-yl)propane-1,2-diol Traditional Name: 3-(5-iodo-4-nitro-imidazol-1-yl)propane-1,2-diol Formula: C6H8IN3O4 MolecularWeight: 313.04989

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1CC(CO)O)I)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=C(N1CC(CO)O)I)[N+](=O)[O-]

InChI

InChI=1S/C6H8IN3O4/c7-5-6(10(13)14)8-3-9(5)1-4(12)2-11/h3-4,11-12H,1-2H2