2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethyl 4-methylbenzoate

Systemtic Name: 2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethyl 4-methylbenzoate Openeye Name: 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl ester IUPAC Name: 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)ethyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCC2=C(NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCC2=C(NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O3/c1-14-8-10-16(11-9-14)20(24)25-13-12-18-15(2)21-22(19(18)23)17-6-4-3-5-7-17/h3-11,21H,12-13H2,1-2H3