V4B
概要
| 表記: | [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
| 組成式: | C15 H9 F3 N2 O5 |
| 電荷: | 0 |
| 化学式量: | 354.238 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (5-methanoyl-2-nitro-phenyl) 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C15H9F3N2O5/c1-8-10(3-5-13(19-8)15(16,17)18)14(22)25-12-6-9(7-21)2-4-11(12)20(23)24/h2-7H,1H3 |
| InChIKey | InChI | 1.03 | IZDCFUQZXAMRMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O |
