7SX
概要
| 表記: | [(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| 組成式: | C12 H14 N O4 P |
| 電荷: | 0 |
| 化学式量: | 267.218 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 | [(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.6 | (5,7-dimethyl-2-oxidanylidene-1~{H}-quinolin-4-yl)methylphosphonic acid |
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 | Cc1cc2c(c(c1)C)C(CP(O)(O)=O)=CC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C12H14NO4P/c1-7-3-8(2)12-9(6-18(15,16)17)5-11(14)13-10(12)4-7/h3-5H,6H2,1-2H3,(H,13,14)(H2,15,16,17) |
| InChIKey | InChI | 1.03 | HMRCSSLTJXSSFR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c2C(=CC(=O)Nc2c1)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c2C(=CC(=O)Nc2c1)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C |
