Basic information
- Standard SMILES
COc1ccc(N2Cc3ccc([N+](=O)[O-])cc3C2=O)cc1- InChIKey
OKZOPNVQJURPRJ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O4
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.07970687
Names & identifiers
- Preferred name
- 6-Nitro-2-(4-methoxyphenyl)-2,3-dihydro-isoindol-1-one
- IUPAC
- 2-(4-methoxyphenyl)-6-nitro-3H-isoindol-1-one
Names & synonyms
SCHEMBL1468627OKZOPNVQJURPRJ-UHFFFAOYSA-N6-nitro-2-(4-methoxyphenyl)-2,3-dihydro-isoindol-1-one
Database identifiers
- PubChem CID
- 67045294
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Related reactions
1 records
Compound notes
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