Basic information
- CAS
129661-56-9- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C=NC1CONC1=O- InChIKey
DPYGCRKOSNVYMA-UHFFFAOYSA-N- Molecular formula
- C8H9N5O4
- Average molar mass
- 239.19 g/mol
- Monoisotopic mass
- 239.06545379
Names & identifiers
- Preferred name
- 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone
- IUPAC
- 4-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-1,2-oxazolidin-3-one
Names & synonyms
129661-56-94-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)isoxazolidin-3-one4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone
Database identifiers
- CAS
129661-56-9- PubChem CID
- 148149
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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