ethyl 1-(2-bromophenyl)-4-cyano-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(2-bromophenyl)-4-cyano-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-allyloxyphenyl)-1-(2-bromophenyl)-4-cyano-pyrazole-3-carboxylate CAS Name: 1-(2-bromophenyl)-4-cyano-5-(4-prop-2-enoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-bromophenyl)-4-cyano-5-(4-prop-2-enoxyphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-allyloxyphenyl)-1-(2-bromophenyl)-4-cyano-pyrazole-3-carboxylic acid ethyl ester Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C#N)C2=CC=C(C=C2)OCC=C)C3=CC=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C#N)C2=CC=C(C=C2)OCC=C)C3=CC=CC=C3Br

InChI

InChI=1S/C22H18BrN3O3/c1-3-13-29-16-11-9-15(10-12-16)21-17(14-24)20(22(27)28-4-2)25-26(21)19-8-6-5-7-18(19)23/h3,5-12H,1,4,13H2,2H3