8TG
概要
| 表記: | 7-bromo-1-methyl-6-nitroquinolin-2(1H)-one |
| 組成式: | C10 H7 Br N2 O3 |
| 電荷: | 0 |
| 化学式量: | 283.078 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 | 7-bromo-1-methyl-6-nitroquinolin-2(1H)-one |
| OpenEye OEToolkits | 2.0.6 | 7-bromanyl-1-methyl-6-nitro-quinolin-2-one |
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 | N1(C)C(=O)C=Cc2c1cc(c(c2)[N+]([O-])=O)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H7BrN2O3/c1-12-8-5-7(11)9(13(15)16)4-6(8)2-3-10(12)14/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | ZYACETWEXNRZQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=Cc2cc(c(Br)cc12)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)C=Cc2cc(c(Br)cc12)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br |
