ethyl 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-5-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[2-oxo-2-(p-tolyl)ethyl]-5-phenyl-pyrazole-3-carboxylate CAS Name: 2-[2-(4-methylphenyl)-2-oxoethyl]-5-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylphenyl)-2-oxoethyl]-5-phenylpyrazole-3-carboxylate Traditional Name: 2-[2-keto-2-(p-tolyl)ethyl]-5-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1CC(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1CC(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-3-26-21(25)19-13-18(16-7-5-4-6-8-16)22-23(19)14-20(24)17-11-9-15(2)10-12-17/h4-13H,3,14H2,1-2H3