Molecular Structure of 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl ester (CAS NO.74936-72-4):

IUPAC Name: 5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
Empirical Formula: C₁₆H₁₆N₂O₆
Molecular Weight: 332.308
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 101.66 Å²
Index of Refraction: 1.587
Molar Refractivity: 83.06 cm³
Molar Volume: 246.9 cm³
Surface Tension: 52.9 dyne/cm
Density: 1.345 g/cm³
Flash Point: 259.2 °C
Enthalpy of Vaporization: 81.56 kJ/mol
Boiling Point: 505 °C at 760 mmHg
Vapour Pressure: 5.1E-11 mmHg at 25°C
EINECS: 278-034-2
InChI
InChI=1/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)
Smiles
C1(=C([C@@H](C(=C(N1)C)C(=O)O)c1cc(ccc1)[N+](=O)[O-])C(=O)OC)C

 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl ester , with CAS number of 74936-72-4, can be called 2,6-Dimethyl-5-methoxy carbonyl-4-(3-nitro-phenyl)-1,4-dihydropyridine-3-carboxylic acid ; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Methyl Ester ; Lercanidipine mainring ; rac-1,4-Dihydro-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic Acid ; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-methyl ester ; Methyl hydrogen 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate .