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

Systemtic Name: 3-(4-bromophenyl)-2-[[1-(4-methylphenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Openeye Name: 3-(4-bromophenyl)-2-[[5-oxo-3-propyl-1-(p-tolyl)-4H-pyrazol-4-yl]methyl]prop-2-enoic acid CAS Name: 3-(4-bromophenyl)-2-[[1-(4-methylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-2-propenoic acid IUPAC Name: 3-(4-bromophenyl)-2-[[1-(4-methylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Traditional Name: 3-(4-bromophenyl)-2-[[5-keto-3-propyl-1-(p-tolyl)-2-pyrazolin-4-yl]methyl]acrylic acid Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)Br)C(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)Br)C(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H23BrN2O3/c1-3-4-21-20(22(27)26(25-21)19-11-5-15(2)6-12-19)14-17(23(28)29)13-16-7-9-18(24)10-8-16/h5-13,20H,3-4,14H2,1-2H3,(H,28,29)