3,7-Dihydro-6,7-Dimethyl-8-Nitro-5-Phenyl-Pyrrolo[3,4-e]-1,4-Diazepin-2(1H)-One
[CAS# 84829-75-4]

Identification

• Name: 3,7-Dihydro-6,7-Dimethyl-8-Nitro-5-Phenyl-Pyrrolo[3,4-e]-1,4-Diazepin-2(1H)-One
• Synonyms: 3,7-Dihydro-6,7-Dimethyl-8-Nitro-5-Phenylpyrrolo(3,4-E)-1,4-Diazepin-2(1H)-One; Pyrrolo(3,4-E)-1,4-Diazepin-2(1H)-One, 3,7-Dihydro-6,7-Dimethyl-8-Nitro-5-Phenyl-
• Molecular Formula: C₁₅H₁₄N₄O₃
• Molecular Weight: 298.30
• CAS Registry Number: 84829-75-4
• SMILES: C3=C(C1=NCC(=O)NC2=C([N](C(=C12)C)C)[N+]([O-])=O)C=CC=C3
• InChI: 1S/C15H14N4O3/c1-9-12-13(10-6-4-3-5-7-10)16-8-11(20)17-14(12)15(18(9)2)19(21)22/h3-7H,8H2,1-2H3,(H,17,20)
• InChIKey: CUIGWWWIKNPXBV-UHFFFAOYSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Boiling point: 515.547°C at 760 mmHg (Cal.)
• Flash point: 265.593°C (Cal.)