Isopropyl 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-5-nitro-3-pyridinecarboxylate
[CAS# 101342-80-7]

Identification

• Name: Isopropyl 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-5-nitro-3-pyridinecarboxylate
• Synonyms: Isopropyl (4S)-4-(2,1,3-Benzoxadiazol-7-Yl)-2,6-Dimethyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylate; (4S)-4-(2,1,3-Benzoxadiazol-7-Yl)-2,6-Dimethyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylic Acid Isopropyl Ester; (4S)-4-Benzofurazan-4-Yl-2,6-Dimethyl-5-Nitro-1,4-Dihydropyridine-3-Carboxylic Acid Isopropyl Ester
• Molecular Formula: C₁₇H₁₈N₄O₅
• Molecular Weight: 358.35
• CAS Registry Number: 101342-80-7
• SMILES: [C@H]3(C1=CC=CC2=NON=C12)C(=C(NC(=C3[N+]([O-])=O)C)C)C(OC(C)C)=O
• 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-/m0/s1
• InChIKey: LYFZEFDZKPJBJK-AWEZNQCLSA-N

Properties

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