ethanoic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Systemtic Name: ethanoic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Openeye Name: acetic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol CAS Name: acetic acid; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol IUPAC Name: acetic acid; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol Traditional Name: acetic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C8H13N3O5 MolecularWeight: 231.20592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O3.C2H4O2/c1-5-7-4-6(9(11)12)8(5)2-3-10;1-2(3)4/h4,10H,2-3H2,1H3;1H3,(H,3,4)