methyl 4-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
methyl 4-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 2062-1321 |
| Compound Name: | methyl 4-{[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate |
| Molecular Weight: | 352.3 |
| Molecular Formula: | C18 H12 N2 O6 |
| Smiles: | COC(c1ccc(/C=C2/C(=O)OC(c3ccc(cc3)[N+]([O-])=O)=N2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3143 |
| logD: | 3.3143 |
| logSw: | -3.8411 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.931 |
| InChI Key: | LWCWMGPPLZYHPT-UHFFFAOYSA-N |