RWP
概要
| 表記: | methyl 4-[(trifluoroacetyl)amino]benzoate |
| 組成式: | C10 H8 F3 N O3 |
| 電荷: | 0 |
| 化学式量: | 247.171 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 4-[(trifluoroacetyl)amino]benzoate |
| OpenEye OEToolkits | 2.0.6 | methyl 4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoate |
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 | c1cc(ccc1NC(=O)C(F)(F)F)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16) |
| InChIKey | InChI | 1.03 | MDDVOSSRTNAXHJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F |
