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

Systemtic Name: 4-[(4Z)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-4-[(4-butoxy-3-methoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-(4-butoxy-3-methoxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoate Formula: C23H20F3N2O5- MolecularWeight: 461.41051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C23H21F3N2O5/c1-3-4-11-33-18-10-5-14(13-19(18)32-2)12-17-20(23(24,25)26)27-28(21(17)29)16-8-6-15(7-9-16)22(30)31/h5-10,12-13H,3-4,11H2,1-2H3,(H,30,31)/p-1/b17-12-