2-(2-methyl-5-nitro-imidazol-1-yl)ethanol phosphate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol phosphate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol phosphate CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)ethanol phosphate IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol phosphate Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol phosphate Formula: C6H9N3O7P-3 MolecularWeight: 266.125321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C6H9N3O3.H3O4P/c1-5-7-4-6(9(11)12)8(5)2-3-10;1-5(2,3)4/h4,10H,2-3H2,1H3;(H3,1,2,3,4)/p-3