(2-ethoxy-2-oxidanylidene-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-ethoxy-2-oxo-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-2-oxoethyl) 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-ethoxy-2-keto-ethyl) ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4/c1-2-26-18(24)13-27-20(25)17-12-23(16-6-4-3-5-7-16)22-19(17)14-8-10-15(21)11-9-14/h3-12H,2,13H2,1H3