diethyl 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]propanedioate CAS Name: 2-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedioate Traditional Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]malonic acid diethyl ester Formula: C23H21ClN2O4 MolecularWeight: 424.87684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H21ClN2O4/c1-3-29-22(27)20(23(28)30-4-2)14-17-15-26(19-8-6-5-7-9-19)25-21(17)16-10-12-18(24)13-11-16/h5-15H,3-4H2,1-2H3