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| IUPAC Name: | ethyl 5-nitro-1-benzofuran-2-carboxylate |
| Description: | Deriatives of benzofuran-2-carboxylic acid are known for exhibiting various pharmacological activities such as selective adenosine A2A receptor antagonists, anti-inflammatory agents and local anaesthetics. Benzofuran-2-carboxylic acids bearing benzoyl nitrogen such as Ethyl 5-Nitrobenzofuran-2-carboxylate, are used as DNA-binding groups, where the these structural subunits mimic natural antitumor agents such as duocarmycin and netropsin. |
| Molecular Weight: | 235.19 |
| Molecular Formula: | C11H9NO5 |
| Canonical SMILES: | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| InChI: | InChI=1S/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3 |
| InChI Key: | ATHBGWVHAWGMAL-UHFFFAOYSA-N |
| Boiling Point: | 359.7 °C at 760 mmHg |
| Density: | 1.362 g/cm3 |
| MDL: | MFCD00275272 |
| LogP: | 3.04090 |
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