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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol trihydrate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol trihydrate CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)ethanol trihydrate IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol trihydrate Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol trihydrate Formula: C6H15N3O6 MolecularWeight: 225.1998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O3.3H2O/c1-5-7-4-6(9(11)12)8(5)2-3-10;;;/h4,10H,2-3H2,1H3;3*1H2