Basic information
- Standard SMILES
CC(C)(C)OC(=O)Cc1ccc2c(=O)occc2c1[N+](=O)[O-]- InChIKey
IPKFEPRTJMDRDM-UHFFFAOYSA-N- Molecular formula
- C15H15NO6
- Average molar mass
- 305.28 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-(5-nitro-1-oxo-1H-isochromen-6-yl)acetate
- IUPAC
- tert-butyl 2-(5-nitro-1-oxoisochromen-6-yl)acetate
Names & synonyms
SCHEMBL305906IPKFEPRTJMDRDM-UHFFFAOYSA-Ntert-butyl 2-(5-nitro-1-oxo-1H-isochromen-6-yl)acetate
Database identifiers
- PubChem CID
- 59515864
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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