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

Systemtic Name: ethyl 1-(4-cyanophenyl)-3-(4-iodophenyl)-2-methyl-5-oxidanylidene-pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-cyanophenyl)-3-(4-iodophenyl)-2-methyl-5-oxo-pyrazole-4-carboxylate CAS Name: 1-(4-cyanophenyl)-3-(4-iodophenyl)-2-methyl-5-oxo-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyanophenyl)-3-(4-iodophenyl)-2-methyl-5-oxopyrazole-4-carboxylate Traditional Name: 1-(4-cyanophenyl)-3-(4-iodophenyl)-5-keto-2-methyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C20H16IN3O3 MolecularWeight: 473.26381

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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=C(C=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C20H16IN3O3/c1-3-27-20(26)17-18(14-6-8-15(21)9-7-14)23(2)24(19(17)25)16-10-4-13(12-22)5-11-16/h4-11H,3H2,1-2H3