2,3-Dihydro-7-Nitro-2-Oxo-5-Phenyl-1H-1,4-Benzodiazepine-3-Carboxylic Acid
[CAS# 60676-80-4]

Identification

• Name: 2,3-Dihydro-7-Nitro-2-Oxo-5-Phenyl-1H-1,4-Benzodiazepine-3-Carboxylic Acid
• Synonyms: 2-Keto-7-Nitro-5-Phenyl-1,3-Dihydro-1,4-Benzodiazepine-3-Carboxylic Acid; 2,3-Dihydro-7-Nitro-2-Oxo-5-Phenyl-1H-1,4-Benzodiazepine-3-Carboxylic Acid
• Molecular Formula: C₁₆H₁₁N₃O₅
• Molecular Weight: 325.28
• CAS Registry Number: 60676-80-4
• EINECS: 262-372-2
• SMILES: C1=C([N+](=O)[O-])C=CC2=C1C(=NC(C(=O)O)C(N2)=O)C3=CC=CC=C3
• InChI: 1S/C16H11N3O5/c20-15-14(16(21)22)18-13(9-4-2-1-3-5-9)11-8-10(19(23)24)6-7-12(11)17-15/h1-8,14H,(H,17,20)(H,21,22)
• InChIKey: JPEUYYKTUFRADV-UHFFFAOYSA-N

Properties

• Density: 1.54g/cm³ (Cal.)
• Boiling point: 608.242°C at 760 mmHg (Cal.)
• Flash point: 321.653°C (Cal.)