methyl 1-ethyl-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-ethyl-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2389 |
| Compound Name: | methyl 1-ethyl-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 316.31 |
| Molecular Formula: | C16 H16 N2 O5 |
| Smiles: | CCN1C(C)=C(/C(=C/c2ccc(cc2)[N+]([O-])=O)C1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4693 |
| logD: | 2.4693 |
| logSw: | -2.4754 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.488 |
| InChI Key: | LDFIGNWQGLQDJL-UHFFFAOYSA-N |