ethyl 1-(4-bromophenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-bromophenyl)-4-cyano-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C#N)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C#N)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrN3O3/c1-3-27-20(25)18-17(12-22)19(13-4-10-16(26-2)11-5-13)24(23-18)15-8-6-14(21)7-9-15/h4-11H,3H2,1-2H3