2-(2-methyl-4-nitro-imidazol-1-yl)ethanoate

Systemtic Name: 2-(2-methyl-4-nitro-imidazol-1-yl)ethanoate Openeye Name: 2-(2-methyl-4-nitro-imidazol-1-yl)acetate CAS Name: 2-(2-methyl-4-nitro-1-imidazolyl)acetate IUPAC Name: 2-(2-methyl-4-nitroimidazol-1-yl)acetate Traditional Name: 2-(2-methyl-4-nitro-imidazol-1-yl)acetate Formula: C6H6N3O4- MolecularWeight: 184.12954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4/c1-4-7-5(9(12)13)2-8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)/p-1