3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]prop-2-enoic acid

Systemtic Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Openeye Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]prop-2-enoic acid CAS Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-2-propenoic acid IUPAC Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Traditional Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyl]acrylic acid Formula: C20H16BrFN2O3 MolecularWeight: 431.255043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrFN2O3/c1-12-18(19(25)24(23-12)17-8-6-16(22)7-9-17)11-14(20(26)27)10-13-2-4-15(21)5-3-13/h2-10,18H,11H2,1H3,(H,26,27)