2-[(4-methoxybenzoyl)oxy]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-[(4-methoxybenzoyl)oxy]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[(4-methoxybenzoyl)oxy]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 6527-0101 |
| Compound Name: | 2-[(4-methoxybenzoyl)oxy]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 392.32 |
| Molecular Formula: | C20 H12 N2 O7 |
| Smiles: | COc1ccc(cc1)C(=O)ON1C(c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8177 |
| logD: | 2.8177 |
| logSw: | -3.8102 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.68 |
| InChI Key: | VGGONTYILIDPRZ-UHFFFAOYSA-N |