ethyl 1-(2-bromanyl-4-fluoranyl-phenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(2-bromanyl-4-fluoranyl-phenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(2-bromo-4-fluoro-phenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 1-(2-bromo-4-fluorophenyl)-4-cyano-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-bromo-4-fluorophenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 1-(2-bromo-4-fluoro-phenyl)-4-cyano-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H15BrFN3O3 MolecularWeight: 444.253803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrFN3O3/c1-3-28-20(26)18-15(11-23)19(12-4-7-14(27-2)8-5-12)25(24-18)17-9-6-13(22)10-16(17)21/h4-10H,3H2,1-2H3