ethyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
ethyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
Compound characteristics
| Compound ID: | 1127-1193 |
| Compound Name: | ethyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate |
| Molecular Weight: | 390.35 |
| Molecular Formula: | C21 H14 N2 O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7558 |
| logD: | 3.7558 |
| logSw: | -4.3243 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.077 |
| InChI Key: | SDITVUOAZQGCHP-UHFFFAOYSA-N |