Basic information
- Standard SMILES
CC1(C)C2CC[C@@]1(C)C(=O)C(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O- InChIKey
KLKHASYXAHSEFO-KJBLDROHSA-N- Molecular formula
- C18H20N2O5
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- (1R)-N-(4-nitrophenyl)-1,8,8-trimethyl-2,4-dioxobicyclo[3.2.1]octane-3-carboxamide
- IUPAC
- (1R)-1,8,8-trimethyl-N-(4-nitrophenyl)-2,4-dioxobicyclo[3.2.1]octane-3-carboxamide
Names & synonyms
SCHEMBL5378832KLKHASYXAHSEFO-KJBLDROHSA-N(1R)-N-(4-nitrophenyl)-1,8,8-trimethyl-2,4-dioxobicyclo[3.2.1]octane-3-carboxamide
Database identifiers
- PubChem CID
- 11624341
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 630
Related reactions
1 records
Compound notes
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