Basic information
- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O- InChIKey
VGWSHWMWPDQKJR-UHFFFAOYSA-N- Molecular formula
- C14H11N5O6
- Average molar mass
- 345.27 g/mol
Names & identifiers
- Preferred name
- N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-nitrophthalimide
- IUPAC
- 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-nitroisoindole-1,3-dione
Names & synonyms
SCHEMBL11869522VGWSHWMWPDQKJR-UHFFFAOYSA-NN-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-nitrophthalimide
Database identifiers
- PubChem CID
- 21491667
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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