2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate
2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Compound characteristics
| Compound ID: | 2054-0746 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate |
| Molecular Weight: | 398.37 |
| Molecular Formula: | C20 H18 N2 O7 |
| Smiles: | CC(C(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5178 |
| logD: | 1.5178 |
| logSw: | -1.9979 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.435 |
| InChI Key: | BTWSFRYVPCVJKN-UHFFFAOYSA-N |