3-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Propyl 8-Fluoro-5-Methyl-6-Oxo-4H-Imidazo[1,5-a][1,4]Benzodiazepine-3-Carboxylate
[CAS# 132305-66-9]

Identification

• Name: 3-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Propyl 8-Fluoro-5-Methyl-6-Oxo-4H-Imidazo[1,5-a][1,4]Benzodiazepine-3-Carboxylate
• Synonyms: 8-Fluoro-5-Methyl-6-Oxo-4H-Imidazo[1,5-A][1,4]Benzodiazepine-3-Carboxylic Acid 3-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Propyl Ester; 8-Fluoro-6-Keto-5-Methyl-4H-Imidazo[1,5-A][1,4]Benzodiazepine-3-Carboxylic Acid 3-[(7-Nitrobenzofurazan-4-Yl)Amino]Propyl Ester; 4H-Imidazo(1,5-A)(1,4)Benzodiazepine-3-Carboxylic Acid, 8-Fluoro-5,6-Dihydro-5-Methyl-6-Oxo-, 3-((7-Nitro-4-Benzofurazanyl)Amino)Propyl Ester
• Molecular Formula: C₂₂H₁₈FN₇O₆
• Molecular Weight: 495.43
• CAS Registry Number: 132305-66-9
• SMILES: C1=NC(=C3[N]1C2=CC=C(F)C=C2C(=O)N(C3)C)C(OCCCNC4=CC=C([N+]([O-])=O)C5=NON=C45)=O
• InChI: 1S/C22H18FN7O6/c1-28-10-17-20(25-11-29(17)15-5-3-12(23)9-13(15)21(28)31)22(32)35-8-2-7-24-14-4-6-16(30(33)34)19-18(14)26-36-27-19/h3-6,9,11,24H,2,7-8,10H2,1H3
• InChIKey: CCEREZNYZJQYEM-UHFFFAOYSA-N

Properties

• Density: 1.657g/cm³ (Cal.)
• Boiling point: 789.568°C at 760 mmHg (Cal.)
• Flash point: 431.316°C (Cal.)