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

Systemtic Name: 3-(4-cyanophenyl)-2-[[3-ethyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Openeye Name: 3-(4-cyanophenyl)-2-[[3-ethyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]methyl]prop-2-enoic acid CAS Name: 3-(4-cyanophenyl)-2-[[3-ethyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-2-propenoic acid IUPAC Name: 3-(4-cyanophenyl)-2-[[3-ethyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Traditional Name: 3-(4-cyanophenyl)-2-[[3-ethyl-5-keto-1-(p-tolyl)-2-pyrazolin-4-yl]methyl]acrylic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3/c1-3-21-20(22(27)26(25-21)19-10-4-15(2)5-11-19)13-18(23(28)29)12-16-6-8-17(14-24)9-7-16/h4-12,20H,3,13H2,1-2H3,(H,28,29)