ethyl 4-[4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[4-(3-ethoxy-4-propargyloxy-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C25H21F3N2O5 MolecularWeight: 486.43985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C(F)(F)F)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C(F)(F)F)OCC#C

InChI

InChI=1S/C25H21F3N2O5/c1-4-13-35-20-12-7-16(15-21(20)33-5-2)14-19-22(25(26,27)28)29-30(23(19)31)18-10-8-17(9-11-18)24(32)34-6-3/h1,7-12,14-15H,5-6,13H2,2-3H3