ethyl 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-3-carboxylate CAS Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-3-carboxylate Traditional Name: 4-cyano-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H12Cl2IN3O2 MolecularWeight: 512.12795

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C#N)C2=CC=C(C=C2)I)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C#N)C2=CC=C(C=C2)I)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H12Cl2IN3O2/c1-2-27-19(26)17-14(10-23)18(11-3-6-13(22)7-4-11)25(24-17)16-8-5-12(20)9-15(16)21/h3-9H,2H2,1H3