(4R)-4-Benzofurazan-4-yl-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid isopropyl ester
[CAS# 97217-84-0]

Identification

• Name: (4R)-4-Benzofurazan-4-yl-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid isopropyl ester
• Synonyms: Isopropyl (4R)-4-(2,1,3-Benzoxadiazol-7-Yl)-2,6-Dimethyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylate; (4R)-4-(2,1,3-Benzoxadiazol-7-Yl)-2,6-Dimethyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylic Acid Isopropyl Ester; (4R)-4-Benzofurazan-4-Yl-2,6-Dimethyl-5-Nitro-1
• Molecular Formula: C₁₇H₁₈N₄O₅
• Molecular Weight: 358.35
• CAS Registry Number: 97217-84-0
• SMILES: [C@H]1(C(=C(NC(=C1[N+]([O-])=O)C)C)C(OC(C)C)=O)C2=CC=CC3=NON=C23
• InChI: 1S/C17H18N4O5/c1-8(2)25-17(22)13-9(3)18-10(4)16(21(23)24)14(13)11-6-5-7-12-15(11)20-26-19-12/h5-8,14,18H,1-4H3/t14-/m1/s1
• InChIKey: LYFZEFDZKPJBJK-CQSZACIVSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 504.876°C at 760 mmHg (Cal.)
• Flash point: 259.14°C (Cal.)