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| IUPAC Name: | ethyl 5-nitro-1H-indole-2-carboxylate |
| Description: | Ethyl 5-Nitroindole-2-carboxylate (CAS# 16732-57-3) is used as a reagent in the synthesis of indol-2-yl ethanones as novel indoleamine 2,3-dioxygenase (IDO) inhibitors. Ethyl 5-Nitroindole-2-carboxylate is also a useful synthetic intermediate in the synthesis of Delavirdine (D230625) which is a bisheteroarylpiperazine (BHAP) reverse transcriptase inhibitor. |
| Molecular Weight: | 234.21 |
| Molecular Formula: | C11H10N2O4 |
| Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-] |
| InChI: | InChI=1S/C11H10N2O4/c1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10/h3-6,12H,2H2,1H3 |
| InChI Key: | DVFJMQCNICEPAI-UHFFFAOYSA-N |
| Boiling Point: | 429.5 °C at 760 mmHg |
| Density: | 1.393 g/cm3 |
| MDL: | MFCD00216477 |
| LogP: | 2.77600 |
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