4-[(4Z)-4-[(4-acetyloxy-3-methoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: 4-[(4Z)-4-[(4-acetyloxy-3-methoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-4-[(4-acetoxy-3-methoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(4-acetyloxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-4-[(4-acetyloxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-(4-acetoxy-3-methoxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoate Formula: C21H14F3N2O6- MolecularWeight: 447.34087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C(F)(F)F)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C21H15F3N2O6/c1-11(27)32-16-8-3-12(10-17(16)31-2)9-15-18(21(22,23)24)25-26(19(15)28)14-6-4-13(5-7-14)20(29)30/h3-10H,1-2H3,(H,29,30)/p-1/b15-9-