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30L

概要
表記:{5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
組成式:C16 H13 F N2 O6
電荷:0
化学式量:348.283 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01{5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
OpenEye OEToolkits1.7.62-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoic 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
SMILESACDLabs12.01[O-][N+](=O)c1cccc(c1)CNC(=O)c2ccc(F)cc2OCC(=O)O
InChIInChI1.03InChI=1S/C16H13FN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21)
InChIKeyInChI1.03HOFFXZBMYHZMTN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1cc(F)ccc1C(=O)NCc2cccc(c2)[N+]([O-])=O
SMILESCACTVS3.385OC(=O)COc1cc(F)ccc1C(=O)NCc2cccc(c2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F

221051

件を2024-06-12に公開中

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