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

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H20N2O5/c1-13-4-6-14(7-5-13)17-11-18(23-22-17)21(25)28-12-19(24)16-9-8-15(26-2)10-20(16)27-3/h4-11H,12H2,1-3H3,(H,22,23)