ethanoic acid; 3-(2-nitroimidazol-1-yl)propane-1,2-diol

Systemtic Name: ethanoic acid; 3-(2-nitroimidazol-1-yl)propane-1,2-diol Openeye Name: acetic acid; 3-(2-nitroimidazol-1-yl)propane-1,2-diol CAS Name: acetic acid; 3-(2-nitro-1-imidazolyl)propane-1,2-diol IUPAC Name: acetic acid; 3-(2-nitroimidazol-1-yl)propane-1,2-diol Traditional Name: acetic acid; 3-(2-nitroimidazol-1-yl)propane-1,2-diol Formula: C8H13N3O6 MolecularWeight: 247.20532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CN(C(=N1)[N+](=O)[O-])CC(CO)O

Isomeric SMILES

CC(=O)O.C1=CN(C(=N1)[N+](=O)[O-])CC(CO)O

InChI

InChI=1S/C6H9N3O4.C2H4O2/c10-4-5(11)3-8-2-1-7-6(8)9(12)13;1-2(3)4/h1-2,5,10-11H,3-4H2;1H3,(H,3,4)