92C

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Summary

Name:(3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one
Formula:C13 H10 Cl N3 O
Formal charge:0
Molecular weight:259.691 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits2.0.6(3~{Z})-5-chloranyl-3-[(1-methylpyrazol-4-yl)methylidene]-1~{H}-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c32\C(=C\c1cnn(C)c1)C(Nc2ccc(c3)Cl)=O
InChIInChI1.03InChI=1S/C13H10ClN3O/c1-17-7-8(6-15-17)4-11-10-5-9(14)2-3-12(10)16-13(11)18/h2-7H,1H3,(H,16,18)/b11-4-
InChIKeyInChI1.03XTIZRVLWRIWWNV-WCIBSUBMSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(cn1)/C=C/2C(=O)Nc3ccc(Cl)cc/23
SMILESCACTVS3.385Cn1cc(cn1)C=C2C(=O)Nc3ccc(Cl)cc23
SMILES_CANONICALOpenEye OEToolkits2.0.6Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl
SMILESOpenEye OEToolkits2.0.6Cn1cc(cn1)C=C2c3cc(ccc3NC2=O)Cl
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