5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide; (2Z)-3-oxidanylidene-2-[oxidanyl-[[4-(trifluoromethyl)phenyl]amino]methylidene]butanenitrile

Systemtic Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide; (2Z)-3-oxidanylidene-2-[oxidanyl-[[4-(trifluoromethyl)phenyl]amino]methylidene]butanenitrile Openeye Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylene]-3-oxo-butanenitrile; 5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide CAS Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxobutanenitrile; 5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide IUPAC Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxobutanenitrile; 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide Traditional Name: (Z)-2-acetyl-3-hydroxy-3-[4-(trifluoromethyl)anilino]acrylonitrile; 5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide Formula: C24H18F6N4O4 MolecularWeight: 540.414539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F.CC(=O)C(=C(NC1=CC=C(C=C1)C(F)(F)F)O)C#N

Isomeric SMILES

CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F.CC(=O)/C(=C(/NC1=CC=C(C=C1)C(F)(F)F)\O)/C#N

InChI

InChI=1S/2C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15;1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18);2-5,17,19H,1H3/b;11-10-