1-Ethyl-6-Fluoro-7-[4-(4-Nitrobenzoyl)Piperazin-1-Yl]-4-Oxoquinoline-3-Carboxylic Acid
[CAS# 135038-30-1]

Identification

• Name: 1-Ethyl-6-Fluoro-7-[4-(4-Nitrobenzoyl)Piperazin-1-Yl]-4-Oxoquinoline-3-Carboxylic Acid
• Synonyms: 1-Ethyl-6-Fluoro-7-[4-(4-Nitrobenzoyl)Piperazin-1-Yl]-4-Oxo-Quinoline-3-Carboxylic Acid; 1-Ethyl-6-Fluoro-7-[4-[(4-Nitrophenyl)-Oxomethyl]-1-Piperazinyl]-4-Oxo-3-Quinolinecarboxylic Acid; 1-Ethyl-6-Fluoro-4-Keto-7-[4-(4-Nitrobenzoyl)Piperazin-1-Yl]Quinoline-3-Carboxylic Acid
• Molecular Formula: C₂₃H₂₁FN₄O₆
• Molecular Weight: 468.44
• CAS Registry Number: 135038-30-1
• SMILES: C1=C4C(=CC(=C1F)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N(C=C(C4=O)C(=O)O)CC
• InChI: 1S/C23H21FN4O6/c1-2-25-13-17(23(31)32)21(29)16-11-18(24)20(12-19(16)25)26-7-9-27(10-8-26)22(30)14-3-5-15(6-4-14)28(33)34/h3-6,11-13H,2,7-10H2,1H3,(H,31,32)
• InChIKey: NEFDOQJSXLBYRR-UHFFFAOYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 740.795°C at 760 mmHg (Cal.)
• Flash point: 401.819°C (Cal.)