2-[3-Ethenyl-1-(4-nitrobenzoyl)piperidin-4-yl]ethyl 4-nitrobenzoate
Basic information
- CAS
7511-25-3- Standard SMILES
C=CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCC1CCOC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
MZSAPNDKETUPMU-UHFFFAOYSA-N- Molecular formula
- C23H23N3O7
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.15360008
Names & identifiers
- Preferred name
- 2-[3-Ethenyl-1-(4-nitrobenzoyl)piperidin-4-yl]ethyl 4-nitrobenzoate
- IUPAC
- 2-[3-ethenyl-1-(4-nitrobenzoyl)piperidin-4-yl]ethyl 4-nitrobenzoate
Names & synonyms
7511-25-3NSC4059872-[3-ethenyl-1-(4-nitrobenzoyl)piperidin-4-yl]ethyl 4-nitrobenzoateDTXSID20324194NSC-405987
Database identifiers
- CAS
7511-25-3- PubChem CID
- 347351
- DTXSID
DTXSID20324194
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 731
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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