(E)-3-bromanyl-N-cyano-2-oxidanyl-N-[4-(trifluoromethyloxy)phenyl]but-2-enamide

Systemtic Name: (E)-3-bromanyl-N-cyano-2-oxidanyl-N-[4-(trifluoromethyloxy)phenyl]but-2-enamide Openeye Name: (E)-3-bromo-N-cyano-2-hydroxy-N-[4-(trifluoromethoxy)phenyl]but-2-enamide CAS Name: (E)-3-bromo-N-cyano-2-hydroxy-N-[4-(trifluoromethoxy)phenyl]-2-butenamide IUPAC Name: (E)-3-bromo-N-cyano-2-hydroxy-N-[4-(trifluoromethoxy)phenyl]but-2-enamide Traditional Name: (E)-3-bromo-N-cyano-2-hydroxy-N-[4-(trifluoromethoxy)phenyl]but-2-enamide Formula: C12H8BrF3N2O3 MolecularWeight: 365.10273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)N(C#N)C1=CC=C(C=C1)OC(F)(F)F)O)Br

Isomeric SMILES

C/C(=C(/C(=O)N(C#N)C1=CC=C(C=C1)OC(F)(F)F)\O)/Br

InChI

InChI=1S/C12H8BrF3N2O3/c1-7(13)10(19)11(20)18(6-17)8-2-4-9(5-3-8)21-12(14,15)16/h2-5,19H,1H3/b10-7+