Basic information
- CAS
5301-17-7- Standard SMILES
Cc1c(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(=O)n(-c2ccccc2)n1C- InChIKey
MSZCSWWLFOQGDM-UHFFFAOYSA-N- Molecular formula
- C19H14N4O5
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 378.09641956
Names & identifiers
- Preferred name
- 2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitroisoindole-1,3-dione
Names & synonyms
2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitro-1H-isoindole-1,3(2H)-dione5301-17-7CBMicro_016416Oprea1_068302Oprea1_842017DTXSID50360045CCG-54402-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitroisoindole-1,3-dioneAKOS000582050BIM-0016436.P001AG-690/12763045
Database identifiers
- CAS
5301-17-7- PubChem CID
- 1069789
- DTXSID
DTXSID50360045
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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