Ethyl cyano(6-nitro-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-7-yl)acetate

Base Information

• Chemical Name: Ethyl cyano(6-nitro-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-7-yl)acetate
• CAS No.: 650141-35-8
• Molecular Formula: C13H6ClNO3
• DSSTox Substance ID: DTXSID00983561

Synonyms:DTXSID00983561;Ethyl cyano(6-nitro-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-7-yl)acetate;650141-35-8

Chemical Property of Ethyl cyano(6-nitro-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-7-yl)acetate

Chemical Property:

• Vapor Pressure: 9.86E-11mmHg at 25°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 341.10117059
• Heavy Atom Count: 25
• Complexity: 686

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Useful:

• Canonical SMILES: CCOC(=O)C(C#N)C1=C(C(=O)N2CCCC3=C2C1=CC=C3)[N+](=O)[O-]
• Isomeric SMILES: CCOC(=O)[C@@H](C#N)C1=C(C(=O)N2CCCC3=C2C1=CC=C3)[N+](=O)[O-]

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