MZF
概要
| 表記: | (3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one |
| 組成式: | C11 H8 Br N3 O3 |
| 電荷: | 0 |
| 化学式量: | 310.104 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 | (3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-5-bromanyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-oxidanyl-3~{H}-indol-2-one |
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 | Brc1cc2C(O)C(=O)N(Cc3ncon3)c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H8BrN3O3/c12-6-1-2-8-7(3-6)10(16)11(17)15(8)4-9-13-5-18-14-9/h1-3,5,10,16H,4H2/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | LYOFEJVGYOXWIE-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13 |
| SMILES | CACTVS | 3.385 | O[CH]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)[C@H](C(=O)N2Cc3ncon3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)C(C(=O)N2Cc3ncon3)O |
