A26

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Summary

Name:(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
Synonyms:ANTIPROLIFERATIVE AGENT A771726
Formula:C12 H9 F3 N2 O2
Formal charge:0
Molecular weight:270.207 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
OpenEye OEToolkits1.7.6(Z)-2-cyano-3-oxidanyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccc(cc1)C(F)(F)F)C(/C#N)=C(\O)C
InChIInChI1.03InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
InChIKeyInChI1.03UTNUDOFZCWSZMS-YFHOEESVSA-N
SMILES_CANONICALCACTVS3.370CC(/O)=C(C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F
SMILESCACTVS3.370CC(O)=C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O
SMILESOpenEye OEToolkits1.7.6CC(=C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F)O