2-(2-cyano-5-nitro-imidazol-1-yl)ethyl ethanoate

Systemtic Name: 2-(2-cyano-5-nitro-imidazol-1-yl)ethyl ethanoate Openeye Name: 2-(2-cyano-5-nitro-imidazol-1-yl)ethyl acetate CAS Name: acetic acid 2-(2-cyano-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-cyano-5-nitroimidazol-1-yl)ethyl acetate Traditional Name: acetic acid 2-(2-cyano-5-nitro-imidazol-1-yl)ethyl ester Formula: C8H8N4O4 MolecularWeight: 224.17352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=CN=C1C#N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN1C(=CN=C1C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H8N4O4/c1-6(13)16-3-2-11-7(4-9)10-5-8(11)12(14)15/h5H,2-3H2,1H3