diethyl 2-[(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]-2-ethyl-propanedioate

Systemtic Name: diethyl 2-[(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]-2-ethyl-propanedioate Openeye Name: diethyl 2-[(2,4-dimethyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]-2-ethyl-propanedioate CAS Name: 2-[(2,4-dimethyl-5-oxo-1-phenyl-3-pyrazolyl)methyl]-2-ethylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methyl]-2-ethylpropanedioate Traditional Name: 2-ethyl-2-[(5-keto-2,4-dimethyl-1-phenyl-3-pyrazolin-3-yl)methyl]malonic acid diethyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC(CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H28N2O5/c1-6-21(19(25)27-7-2,20(26)28-8-3)14-17-15(4)18(24)23(22(17)5)16-12-10-9-11-13-16/h9-13H,6-8,14H2,1-5H3