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QYZ

Summary
Name:(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one
Formula:C14 H11 N O2
Formal charge:0
Formula weight:225.243 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+
InChIKeyInChI1.03DWJWWZSAYOTJGO-XYOKQWHBSA-N
SMILES_CANONICALCACTVS3.385Cc1oc(cc1)/C=C2/C(=O)Nc3ccccc23
SMILESCACTVS3.385Cc1oc(cc1)C=C2C(=O)Nc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O
SMILESOpenEye OEToolkits2.0.7Cc1ccc(o1)C=C2c3ccccc3NC2=O

224931

PDB entries from 2024-09-11

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