4-methyl-2-oxo-2H-1-benzopyran-7-yl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
4-methyl-2-oxo-2H-1-benzopyran-7-yl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 8006-2695 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 408.32 |
| Molecular Formula: | C20 H12 N2 O8 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OC(CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2079 |
| logD: | 1.2079 |
| logSw: | -2.528 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.034 |
| InChI Key: | VZCLSGFYINCQHU-UHFFFAOYSA-N |