methyl 5-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2264 |
| Compound Name: | methyl 5-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 318.28 |
| Molecular Formula: | C15 H14 N2 O6 |
| Smiles: | CC1=C(C(/C(=C\c2ccc(c(c2)[N+]([O-])=O)OC)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8498 |
| logD: | 1.6218 |
| logSw: | -2.4573 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.196 |
| InChI Key: | VGUMXUHPVBISBU-UHFFFAOYSA-N |