(5-ethanoyl-2-methoxy-phenyl)methyl 4-bromanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-bromanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-1-(2-fluorophenyl)-3-pyrazolecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H16BrFN2O4 MolecularWeight: 447.254443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=NN(C=C2Br)C3=CC=CC=C3F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=NN(C=C2Br)C3=CC=CC=C3F

InChI

InChI=1S/C20H16BrFN2O4/c1-12(25)13-7-8-18(27-2)14(9-13)11-28-20(26)19-15(21)10-24(23-19)17-6-4-3-5-16(17)22/h3-10H,11H2,1-2H3