(3E)-3-(2-cyanoethanoylhydrazinylidene)-N-[2-(trifluoromethyl)phenyl]butanamide

Systemtic Name: (3E)-3-(2-cyanoethanoylhydrazinylidene)-N-[2-(trifluoromethyl)phenyl]butanamide Openeye Name: (3E)-3-[(2-cyanoacetyl)hydrazono]-N-[2-(trifluoromethyl)phenyl]butanamide CAS Name: (3E)-3-[(2-cyano-1-oxoethyl)hydrazinylidene]-N-[2-(trifluoromethyl)phenyl]butanamide IUPAC Name: (3E)-3-[(2-cyanoacetyl)hydrazinylidene]-N-[2-(trifluoromethyl)phenyl]butanamide Traditional Name: (3E)-3-[(2-cyanoacetyl)hydrazono]-N-[2-(trifluoromethyl)phenyl]butyramide Formula: C14H13F3N4O2 MolecularWeight: 326.27383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC#N)CC(=O)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

C/C(=N\NC(=O)CC#N)/CC(=O)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C14H13F3N4O2/c1-9(20-21-12(22)6-7-18)8-13(23)19-11-5-3-2-4-10(11)14(15,16)17/h2-5H,6,8H2,1H3,(H,19,23)(H,21,22)/b20-9+