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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O4/c1-14-20(15(2)23(22-14)17-7-5-4-6-8-17)21(25)27-13-19(24)16-9-11-18(26-3)12-10-16/h4-12H,13H2,1-3H3