Basic information
- Standard SMILES
N#CC1CCc2ccc([N+](=O)[O-])cc2C(=O)C1- InChIKey
YRJCDGYLKCJBEK-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
Names & identifiers
- Preferred name
- 3-nitro-5-oxo-6,7,8,9-tetrahydro [5H] benzocycloheptene-7-carbonitrile
- IUPAC
- 3-nitro-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-7-carbonitrile
Names & synonyms
YRJCDGYLKCJBEK-UHFFFAOYSA-N3-nitro-5-oxo-6,7,8,9-tetrahydro [5H] benzocycloheptene-7-carbonitrile
Database identifiers
- PubChem CID
- 54523296
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 379
Related reactions
4 records
Compound notes
Loading…