2-[[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Traditional Name: 2-[[1-(4-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]acrylic acid Formula: C22H18ClF3N2O3 MolecularWeight: 450.83813

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(F)(F)F)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(F)(F)F)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClF3N2O3/c1-2-19-18(20(29)28(27-19)17-9-7-16(23)8-10-17)12-14(21(30)31)11-13-3-5-15(6-4-13)22(24,25)26/h3-11,18H,2,12H2,1H3,(H,30,31)