ethyl [3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate
Chemical Structure Depiction of
ethyl [3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate
ethyl [3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate
Compound characteristics
Compound ID: | 3448-0236 |
Compound Name: | ethyl [3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate |
Molecular Weight: | 348.31 |
Molecular Formula: | C16 H16 N2 O7 |
Smiles: | CCOC(CN1C(C(=C(C1=O)O)C(C)=O)c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.1106 |
logD: | 1.1079 |
logSw: | -2.1752 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 98.998 |
InChI Key: | NJSZSPNGVSFKIG-CQSZACIVSA-N |