[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H18N2O3/c1-13-8-9-16(14(2)10-13)19(23)12-25-20(24)18-11-17(21-22-18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,22)