CBMicro_022030
propyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: CBMicro_022030|Oprea1_707203|BIM-0022022.P001|SR-01000232721-1|SR-01000232721-2|propyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|propyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|propyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroq uinoline-3-carboxylate
| Molecular Formula | C22H26N2O6 |
|---|---|
| Molecular Weight | 414.17908 g/mol |
| LogP | 3.8576 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.17908 |
| Monoisotopic Mass | 414.17908 |
| Heavy Atoms | 30 |
| Complexity | 989.3419 |
Chemical Identifiers
| CAS Number | 346715-07-9 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CC(C2)(C)C)C |
Product Overview
CBMicro_022030 (CAS 346715-07-9), with molecular formula C22H26N2O6 and molecular weight 414.17908 g/mol. IUPAC: propyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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