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S69

概要
表記:N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
組成式:C17 H18 N2 O4
電荷:0
化学式量:314.336 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
OpenEye OEToolkits1.7.0N-[(E)-(2,4-dihydroxy-6-methyl-phenyl)methylideneamino]-2-(3-methoxyphenyl)ethanamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(N/N=C/c1c(cc(O)cc1O)C)Cc2cccc(OC)c2
SMILES_CANONICALCACTVS3.370COc1cccc(CC(=O)N/N=C/c2c(C)cc(O)cc2O)c1
SMILESCACTVS3.370COc1cccc(CC(=O)NN=Cc2c(C)cc(O)cc2O)c1
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1cc(cc(c1/C=N/NC(=O)Cc2cccc(c2)OC)O)O
SMILESOpenEye OEToolkits1.7.0Cc1cc(cc(c1C=NNC(=O)Cc2cccc(c2)OC)O)O
InChIInChI1.03InChI=1S/C17H18N2O4/c1-11-6-13(20)9-16(21)15(11)10-18-19-17(22)8-12-4-3-5-14(7-12)23-2/h3-7,9-10,20-21H,8H2,1-2H3,(H,19,22)/b18-10+
InChIKeyInChI1.03BVOFXQXPHVPLFB-VCHYOVAHSA-N

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件を2024-07-10に公開中

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