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2US

Summary
Name:(2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:C16 H11 N O5
Formal charge:0
Formula weight:297.262 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
OpenEye OEToolkits1.7.6(2Z)-2-[[2,4-bis(oxidanyl)phenyl]methylidene]-3-oxidanylidene-1-benzofuran-7-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c3cccc1c3O/C(C1=O)=C\c2ccc(O)cc2O)N
InChIInChI1.03InChI=1S/C16H11NO5/c17-16(21)11-3-1-2-10-14(20)13(22-15(10)11)6-8-4-5-9(18)7-12(8)19/h1-7,18-19H,(H2,17,21)/b13-6-
InChIKeyInChI1.03IANCBPDHSPOPRZ-MLPAPPSSSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1cccc2C(=O)\C(Oc12)=C\c3ccc(O)cc3O
SMILESCACTVS3.385NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(O)cc3O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O
SMILESOpenEye OEToolkits1.7.6c1cc2c(c(c1)C(=O)N)OC(=Cc3ccc(cc3O)O)C2=O

222415

數據於2024-07-10公開中

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