(4-bromanyl-2-fluoranyl-phenyl)methyl 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C14H14BrFN2O2 MolecularWeight: 341.175563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H14BrFN2O2/c1-8-13(9(2)18(3)17-8)14(19)20-7-10-4-5-11(15)6-12(10)16/h4-6H,7H2,1-3H3