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

Systemtic Name: 3-(4-bromophenyl)-2-[[3-ethyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Openeye Name: 3-(4-bromophenyl)-2-[[3-ethyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]methyl]prop-2-enoic acid CAS Name: 3-(4-bromophenyl)-2-[[3-ethyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-2-propenoic acid IUPAC Name: 3-(4-bromophenyl)-2-[[3-ethyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Traditional Name: 3-(4-bromophenyl)-2-[[3-ethyl-5-keto-1-(p-tolyl)-2-pyrazolin-4-yl]methyl]acrylic acid Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O3/c1-3-20-19(21(26)25(24-20)18-10-4-14(2)5-11-18)13-16(22(27)28)12-15-6-8-17(23)9-7-15/h4-12,19H,3,13H2,1-2H3,(H,27,28)