N-(2-acetyloxyethyl)-1-[1-(2-acetyloxyethyl)-5-nitroimidazol-2-yl]methanimine oxide
Basic information
- CAS
42021-75-0- Standard SMILES
CC(=O)OCCn1c([N+](=O)[O-])cnc1/C=[N+](/[O-])CCOC(C)=O- InChIKey
IUAPLWZASBPWSM-RIYZIHGNSA-N- Molecular formula
- C12H16N4O7
- Average molar mass
- 328.28 g/mol
- Monoisotopic mass
- 328.10189886
Names & identifiers
- Preferred name
- N-(2-acetyloxyethyl)-1-[1-(2-acetyloxyethyl)-5-nitroimidazol-2-yl]methanimine oxide
- IUPAC
- N-(2-acetyloxyethyl)-1-[1-(2-acetyloxyethyl)-5-nitroimidazol-2-yl]methanimine oxide
Names & synonyms
NSC18619342021-75-0DTXSID80421633NSC-186193(E)-N-[2-(Acetyloxy)ethyl]{1-[2-(acetyloxy)ethyl]-5-nitro-1H-imidazol-2-yl}methanimine N-oxide
Database identifiers
- CAS
42021-75-0- PubChem CID
- 5984643
- DTXSID
DTXSID80421633
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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