Basic information
- Standard SMILES
CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O- InChIKey
FFBUYJAHSNPQDH-UHFFFAOYSA-N- Molecular formula
- C10H8N2O4
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.04840674
Names & identifiers
- Preferred name
- 4-nitro-N-ethylphthalimide
- IUPAC
- 2-ethyl-5-nitroisoindole-1,3-dione
Names & synonyms
55080-56-32-ethyl-5-nitroisoindoline-1,3-dione4-nitro-N-ethylphthalimide1H-Isoindole-1,3(2H)-dione, 2-ethyl-5-nitro-N-Ethyl-4-nitrophthalimideOprea1_315688SCHEMBL6207633SCHEMBL6956819CHEMBL2022012SCHEMBL30070354DTXSID40357025FFBUYJAHSNPQDH-UHFFFAOYSA-N
Show more names
AKOS000582204CS-02983052-Ethyl-5-nitro-1H-isoindole-1,3(2H)-dioneSR-01000317934SR-01000317934-1Z53838031
Database identifiers
- CAS
55080-56-3- PubChem CID
- 840408
- DTXSID
DTXSID40357025- ChEMBL
CHEMBL2022012
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 349
Related reactions
6 records
Linked notes
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