4-[(6,11-Dihydro-8-chloro-3-nitro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]piperidine-1-carboxylic acid ethyl ester

Base Information

• Chemical Name: 4-[(6,11-Dihydro-8-chloro-3-nitro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]piperidine-1-carboxylic acid ethyl ester
• CAS No.: 165739-81-1
• Molecular Formula: C₂₂H₂₂ClN₃O₄
• Molecular Weight: 427.887
• DSSTox Substance ID: DTXSID101107648
• Nikkaji Number: J942.238B

Synonyms:DTXSID101107648;165739-81-1;4-[(6,11-Dihydro-8-chloro-3-nitro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]piperidine-1-carboxylic acid ethyl ester;Ethyl 4-(8-chloro-5,6-dihydro-3-nitro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate

Chemical Property of 4-[(6,11-Dihydro-8-chloro-3-nitro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin)-11-ylidene]piperidine-1-carboxylic acid ethyl ester

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 427.1298839
• Heavy Atom Count: 30
• Complexity: 684

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Useful:

• Canonical SMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC(=C4)[N+](=O)[O-])C=C(C=C3)Cl)CC1

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