4OB
概要
| 表記: | N-hydroxy-N'-phenyl-3-(trifluoromethyl)benzenecarboximidamide |
| 組成式: | C14 H11 F3 N2 O |
| 電荷: | 0 |
| 化学式量: | 280.245 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-N'-phenyl-3-(trifluoromethyl)benzenecarboximidamide |
| OpenEye OEToolkits | 1.9.2 | N-oxidanyl-N'-phenyl-3-(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(c1cccc(c1)/C(NO)=N\c2ccccc2)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-4-5-10(9-11)13(19-20)18-12-7-2-1-3-8-12/h1-9,20H,(H,18,19) |
| InChIKey | InChI | 1.03 | SFPWZRCGYUTPNJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=Nc1ccccc1)c2cccc(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | ONC(=Nc1ccccc1)c2cccc(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)N=C(c2cccc(c2)C(F)(F)F)NO |
