ethyl 1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-3-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-cyanophenyl)-2-methyl-5-oxo-3-phenyl-pyrazole-4-carboxylate CAS Name: 1-(4-cyanophenyl)-2-methyl-5-oxo-3-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyanophenyl)-2-methyl-5-oxo-3-phenylpyrazole-4-carboxylate Traditional Name: 1-(4-cyanophenyl)-5-keto-2-methyl-3-phenyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3/c1-3-26-20(25)17-18(15-7-5-4-6-8-15)22(2)23(19(17)24)16-11-9-14(13-21)10-12-16/h4-12H,3H2,1-2H3