W9E
概要
| 表記: | N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide |
| 組成式: | C8 H7 F3 N2 O |
| 電荷: | 0 |
| 化学式量: | 204.149 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-4-(trifluoromethyl)benzene-1-carboximidamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-oxidanyl-4-(trifluoromethyl)benzenecarboximidamide |
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)c1ccc(cc1)C(=N)NO |
| InChI | InChI | 1.06 | InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13) |
| InChIKey | InChI | 1.06 | QCVFLUSIBKAKPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=N)c1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | ONC(=N)c1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1ccc(cc1)C(F)(F)F)/NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=N)NO)C(F)(F)F |
