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BDE

Summary
Name:N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE
Formula:C13 H9 Br2 N3 O3
Formal charge:0
Formula weight:415.037 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]pyridine-3-carbohydrazide
OpenEye OEToolkits1.5.0N-[(3,5-dibromo-2,4-dihydroxy-phenyl)methylideneamino]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N\N=C\c1cc(Br)c(O)c(Br)c1O)c2cccnc2
SMILES_CANONICALCACTVS3.341Oc1c(Br)cc(/C=N/NC(=O)c2cccnc2)c(O)c1Br
SMILESCACTVS3.341Oc1c(Br)cc(C=NNC(=O)c2cccnc2)c(O)c1Br
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br
SMILESOpenEye OEToolkits1.5.0c1cc(cnc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br
InChIInChI1.03InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+
InChIKeyInChI1.03PYVJEAZDEZTGIS-UBKPWBPPSA-N

222926

數據於2024-07-24公開中

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