(4-cyanophenyl)methyl 4-bromanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 4-bromanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-1-(2-fluorophenyl)-3-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylic acid (4-cyanobenzyl) ester Formula: C18H11BrFN3O2 MolecularWeight: 400.201243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C=C(C(=N2)C(=O)OCC3=CC=C(C=C3)C#N)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C=C(C(=N2)C(=O)OCC3=CC=C(C=C3)C#N)Br)F

InChI

InChI=1S/C18H11BrFN3O2/c19-14-10-23(16-4-2-1-3-15(16)20)22-17(14)18(24)25-11-13-7-5-12(9-21)6-8-13/h1-8,10H,11H2