IKY
概要
| 表記: | N-HYDROXY-2-[2-(TRIFLUOROMETHYL)PHENYL]-1,3-OXAZOLE-4-CARBOXAMIDE |
| 組成式: | C11 H7 F3 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 272.18 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 | N-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide |
| OpenEye OEToolkits | 1.7.2 | N-oxidanyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide |
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 | FC(F)(F)c1ccccc1c2nc(co2)C(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(5-19-10)9(17)16-18/h1-5,18H,(H,16,17) |
| InChIKey | InChI | 1.03 | CRHXDKPGVAVHNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | ONC(=O)c1coc(n1)c2ccccc2C(F)(F)F |
| SMILES | CACTVS | 3.370 | ONC(=O)c1coc(n1)c2ccccc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F |
