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BCE

Summary
Name:(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
Formula:C17 H14 N2 O2
Formal charge:0
Formula weight:278.305 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
OpenEye OEToolkits1.5.0(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#C\C(=C(\O)C)C(=O)Nc2ccc(c1ccccc1)cc2
SMILES_CANONICALCACTVS3.341C/C(O)=C(C#N)/C(=O)Nc1ccc(cc1)c2ccccc2
SMILESCACTVS3.341CC(O)=C(C#N)C(=O)Nc1ccc(cc1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)c2ccccc2)/O
SMILESOpenEye OEToolkits1.5.0CC(=C(C#N)C(=O)Nc1ccc(cc1)c2ccccc2)O
InChIInChI1.03InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-
InChIKeyInChI1.03MUVPBAIVOHJDOC-VBKFSLOCSA-N

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PDB entries from 2026-01-14

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