2-(4-nitroimidazol-1-yl)propane-1,3-diol

Systemtic Name: 2-(4-nitroimidazol-1-yl)propane-1,3-diol Openeye Name: 2-(4-nitroimidazol-1-yl)propane-1,3-diol CAS Name: 2-(4-nitro-1-imidazolyl)propane-1,3-diol IUPAC Name: 2-(4-nitroimidazol-1-yl)propane-1,3-diol Traditional Name: 2-(4-nitroimidazol-1-yl)propane-1,3-diol Formula: C6H9N3O4 MolecularWeight: 187.15336

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1C(CO)CO)[N+](=O)[O-]

Isomeric SMILES

C1=C(N=CN1C(CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C6H9N3O4/c10-2-5(3-11)8-1-6(7-4-8)9(12)13/h1,4-5,10-11H,2-3H2