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Basic information
- Standard SMILES
CNC(=O)OCc1cnc([N+](=O)[O-])n1C- InChIKey
XRSCTFILGIZFCW-UHFFFAOYSA-N- Molecular formula
- C7H10N4O4
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.07020481
Names & identifiers
- Preferred name
- N-methyl-2-nitro-5-hydroxymethylimidazolyl methylcarbonate
- IUPAC
- (3-methyl-2-nitroimidazol-4-yl)methyl N-methylcarbamate
Names & synonyms
NSC675359N-methyl-2-nitro-5-hydroxymethylimidazolyl methylcarbonateCHEMBL1976168SCHEMBL16358394NSC-675359NCI60_026659(3-methyl-2-nitro-imidazol-4-yl)methyl N-methylcarbamate(2-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)methyl methylcarbamate
Database identifiers
- PubChem CID
- 384841
- ChEMBL
CHEMBL1976168
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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