Basic information
- CAS
294853-94-4- Standard SMILES
O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
ODXPLFGJXTUHJW-UHFFFAOYSA-N- Molecular formula
- C20H13N3O5
- Average molar mass
- 375.3 g/mol
- Monoisotopic mass
- 375.08552052
Names & identifiers
- Preferred name
- N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide
- IUPAC
- 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-nitrophenyl)acetamide
Names & synonyms
DTXSID501161474N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamideAKOS033839301294853-94-4Z226924322-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(4-nitrophenyl)acetamide
Database identifiers
- CAS
294853-94-4- PubChem CID
- 3901276
- DTXSID
DTXSID501161474
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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