3-oxidanylidenebutan-2-yl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C20H17ClN2O3 MolecularWeight: 368.81358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O3/c1-13(24)14(2)26-20(25)18-12-23(17-6-4-3-5-7-17)22-19(18)15-8-10-16(21)11-9-15/h3-12,14H,1-2H3