Basic information
- CAS
3401-39-6- Standard SMILES
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O- InChIKey
QYGBXDREJKTVJA-JTQLQIEISA-N- Molecular formula
- C17H12N2O6
- Average molar mass
- 340.29 g/mol
- Monoisotopic mass
- 340.06953611
Names & identifiers
- Preferred name
- 4-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
- IUPAC
- (4-nitrophenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
Names & synonyms
DTXSID8011269123401-39-64-Nitrophenyl (2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate2H-Isoindole-2-acetic acid, 1,3-dihydro-I+/--methyl-1,3-dioxo-, 4-nitrophenyl ester, (S)-
Database identifiers
- CAS
3401-39-6- PubChem CID
- 804375
- DTXSID
DTXSID801126912
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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