GFX
概要
| 表記: | methyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical |
| 組成式: | C10 H17 N O3 |
| 電荷: | 0 |
| 化学式量: | 199.247 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | methyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 2,2,5,5-tetramethyl-1-oxidanyl-pyrrole-3-carboxylate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC1(C)C(=CC(C)(C)N1O)C(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C10H17NO3/c1-9(2)6-7(8(12)14-5)10(3,4)11(9)13/h6,13H,1-5H3 |
| InChIKey | InChI | 1.06 | WHFMYRQGLUQPEK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C1=CC(C)(C)N(O)C1(C)C |
| SMILES | CACTVS | 3.385 | COC(=O)C1=CC(C)(C)N(O)C1(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C=C(C(N1O)(C)C)C(=O)OC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C=C(C(N1O)(C)C)C(=O)OC)C |
