dimethyl 2-[2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanedioate

Systemtic Name: dimethyl 2-[2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanedioate Openeye Name: dimethyl 2-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanedioate CAS Name: 2-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanedioate Traditional Name: 2-[1-(4-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]malonic acid dimethyl ester Formula: C15H15ClN2O5 MolecularWeight: 338.743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C15H15ClN2O5/c1-8-11(12(14(20)22-2)15(21)23-3)13(19)18(17-8)10-6-4-9(16)5-7-10/h4-7,12,17H,1-3H3