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

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H18N2O5/c1-25-14-8-9-15(19(10-14)26-2)18(23)12-27-20(24)17-11-16(21-22-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,22)