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

Systemtic Name: 2-(2-chloranyl-4-nitro-imidazol-1-yl)ethanoate Openeye Name: 2-(2-chloro-4-nitro-imidazol-1-yl)acetate CAS Name: 2-(2-chloro-4-nitro-1-imidazolyl)acetate IUPAC Name: 2-(2-chloro-4-nitroimidazol-1-yl)acetate Traditional Name: 2-(2-chloro-4-nitro-imidazol-1-yl)acetate Formula: C5H3ClN3O4- MolecularWeight: 204.54802

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N1CC(=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(N=C(N1CC(=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C5H4ClN3O4/c6-5-7-3(9(12)13)1-8(5)2-4(10)11/h1H,2H2,(H,10,11)/p-1