2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate
Chemical Structure Depiction of
2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate
2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 4483-1369 |
| Compound Name: | 2-(4-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate |
| Molecular Weight: | 384.34 |
| Molecular Formula: | C19 H16 N2 O7 |
| Smiles: | C1C2C=CC1C1C2C(N(CC(=O)OCC(c2ccc(cc2)[N+]([O-])=O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0795 |
| logD: | 1.0795 |
| logSw: | -2.2435 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.499 |
| InChI Key: | MQZSVWVJONYPDK-UHFFFAOYSA-N |