Ethyl 2,5-bis[(4-nitrophenoxy)methyl]-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazole-3a-carboxylate
Basic information
- CAS
86497-70-3- Standard SMILES
CCOC(=O)C12CC(COc3ccc([N+](=O)[O-])cc3)ON1OC(COc1ccc([N+](=O)[O-])cc1)C2- InChIKey
JYPNLARXDNGGOJ-UHFFFAOYSA-N- Molecular formula
- C22H23N3O10
- Average molar mass
- 489.4 g/mol
- Monoisotopic mass
- 489.13834394
Names & identifiers
- Preferred name
- Ethyl 2,5-bis[(4-nitrophenoxy)methyl]-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazole-3a-carboxylate
- IUPAC
- ethyl 2,5-bis[(4-nitrophenoxy)methyl]-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazole-3a-carboxylate
Names & synonyms
86497-70-3NSC376729ethyl 2,5-bis[(4-nitrophenoxy)methyl]-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazole-3a-carboxylateDTXSID40321483NSC-376729Ethyl 2,5-bis[(4-nitrophenoxy)methyl]tetrahydro-3aH-[1,2]oxazolo[2,3-b][1,2]oxazole-3a-carboxylate
Database identifiers
- CAS
86497-70-3- PubChem CID
- 341986
- DTXSID
DTXSID40321483
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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