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2BC

Summary
Name:N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
Formula:C18 H12 Br2 N2 O3
Formal charge:0
Formula weight:464.107 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c3cc2ccccc2cc3
SMILES_CANONICALCACTVS3.341Oc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(O)c1Br
SMILESCACTVS3.341Oc1c(Br)cc(C=NNC(=O)c2ccc3ccccc3c2)c(O)c1Br
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br
SMILESOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)C(=O)NN=Cc3cc(c(c(c3O)Br)O)Br
InChIInChI1.03InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+
InChIKeyInChI1.03LVLHTGJPIBVDTM-ZVBGSRNCSA-N

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PDB entries from 2024-08-07

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