basic_info |
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| Product_Name: | 1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-METHYL-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE |
| CAS: | 823217-72-7 |
| EnglishSynonyms: | 1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-METHYL-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE |
| pro_mdlNumber: | MFCD16039000 |
| pro_acceptors: | 7 |
| pro_donors: | 0 |
| pro_smile: | CCOC(=O)c1cc2cc(c[n+](c2n1C(=O)OC(C)(C)C)[O-])C |
| InChi: | InChI=1S/C16H20N2O5/c1-6-22-14(19)12-8-11-7-10(2)9-17(21)13(11)18(12)15(20)23-16(3,4)5/h7-9H,6H2,1-5H3 |
| InChiKey: | InChIKey=GXJPUQCXMKIKFC-UHFFFAOYSA-N |
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