QTV
概要
| 表記: | 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole |
| 組成式: | C11 H10 F N3 O2 |
| 電荷: | 0 |
| 化学式量: | 235.214 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 | 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole |
| OpenEye OEToolkits | 2.0.7 | 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-imidazole |
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 | n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3 |
| InChIKey | InChI | 1.03 | ANWLFOLYHZHQIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(cn1Cc2ccc(F)cc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Cc1nc(cn1Cc2ccc(F)cc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-] |
