3-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

Base Information

• Chemical Name: 3-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
• CAS No.: 807335-41-7
• Molecular Formula: C16H9N3O6
• ChEMBL ID: CHEMBL203971
• DSSTox Substance ID: DTXSID60468602
• Nikkaji Number: J2.394.134A
• Pharos Ligand ID: X4FRR61UW2VF
• Wikidata: Q82295887

Synonyms:807335-41-7;3-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide;CHEMBL203971;Isoquinoline-1,3,4-trione 6h;SCHEMBL13442878;BDBM10261;DTXSID60468602;Benzamide, 3-nitro-N-(1,2,3,4-tetrahydro-1,3,4-trioxo-5-isoquinolinyl)-;N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-5-yl)-3-nitrobenzamide

Chemical Property of 3-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 339.04913502
• Heavy Atom Count: 25
• Complexity: 628

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC3=C2C(=O)C(=O)NC3=O

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