3-Ethyl 5-(4-Nitrobenzyl) 2-Methyl-6-Phenyl-4-(Phenylethynyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate
[CAS# 192053-05-7]

Identification

• Name: 3-Ethyl 5-(4-Nitrobenzyl) 2-Methyl-6-Phenyl-4-(Phenylethynyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate
• Synonyms: [192053-05-7]; 1,4-Dihydro-2-methyl-6-phenyl-4-(phenylethynyl)-3,5-pyridinedicarboxylic acid 3-ethyl-5-[(3-nitrophenyl)methyl] ester
• Molecular Formula: C₃₁H₂₆N₂O₆
• Molecular Weight: 522.55
• CAS Registry Number: 192053-05-7
• SMILES: CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C
• InChI: 1S/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(35)39-20-23-14-17-25(18-15-23)33(36)37/h4-15,17-18,26,32H,3,20H2,1-2H3
• InChIKey: QFLOJAMZLQXHFS-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 704.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 379.7±32.9°C (Cal.)
• Refractive index: 1.651 (Cal.)
• solubility: Soluble to 100 mM in DMSO