OFL
概要
表記: | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID |
組成式: | C14 H10 F3 N O2 |
電荷: | 0 |
化学式量: | 281.23 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 10.04 | 2-{[2-(trifluoromethyl)phenyl]amino}benzoic acid |
OpenEye OEToolkits | 1.5.0 | 2-[[2-(trifluoromethyl)phenyl]amino]benzoic 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 | 10.04 | FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccccc1Nc2ccccc2C(F)(F)F |
SMILES | CACTVS | 3.341 | OC(=O)c1ccccc1Nc2ccccc2C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20) |
InChIKey | InChI | 1.03 | ONKHJNFXJDEMNQ-UHFFFAOYSA-N |