methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}benzoate
methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}benzoate
Compound characteristics
| Compound ID: | 8006-4157 |
| Compound Name: | methyl 4-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}benzoate |
| Molecular Weight: | 384.3 |
| Molecular Formula: | C18 H12 N2 O8 |
| Smiles: | COC(c1ccc(cc1)OC(CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5198 |
| logD: | 1.5198 |
| logSw: | -2.3366 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.8 |
| InChI Key: | CUSZBVRWWWVORN-UHFFFAOYSA-N |