[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C25H19ClN2O4 MolecularWeight: 446.88236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H19ClN2O4/c1-31-21-13-9-18(10-14-21)24-22(15-28(27-24)20-5-3-2-4-6-20)25(30)32-16-23(29)17-7-11-19(26)12-8-17/h2-15H,16H2,1H3