(1-methoxy-1-oxidanylidene-propan-2-yl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)OC)C3=CC=CC=C3

InChI

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