Basic information
- CAS
165739-81-1- Standard SMILES
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc([N+](=O)[O-])cnc32)CC1- InChIKey
VIRSCYAEDACRKT-UHFFFAOYSA-N- Molecular formula
- C22H22ClN3O4
- Average molar mass
- 427.9 g/mol
- Monoisotopic mass
- 427.1298839
Names & identifiers
- Preferred name
- Ethyl 4-(8-chloro-5,6-dihydro-3-nitro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate
- IUPAC
- ethyl 4-(13-chloro-6-nitro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Names & synonyms
165739-81-1Ethyl 4-(8-chloro-5,6-dihydro-3-nitro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylateEthyl 4-(8-chloro-5,6-dihydro-3-nitro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylateRefChem:343742DTXSID101107648
Database identifiers
- CAS
165739-81-1- PubChem CID
- 10693790
- DTXSID
DTXSID101107648- Nikkaji
- J942.238B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…