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

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid Traditional Name: 2-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]acrylic acid Formula: C21H16ClF3N2O3 MolecularWeight: 436.81155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(F)(F)F)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=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/C21H16ClF3N2O3/c1-12-18(19(28)27(26-12)17-8-6-16(22)7-9-17)11-14(20(29)30)10-13-2-4-15(5-3-13)21(23,24)25/h2-10,18H,11H2,1H3,(H,29,30)