(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H15BrFN3O3 MolecularWeight: 444.253803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)COC2=C(C=C(C=C2)F)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)COC2=C(C=C(C=C2)F)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H15BrFN3O3/c1-13-16(10-23)18(25(24-13)15-5-3-2-4-6-15)11-28-20(26)12-27-19-8-7-14(22)9-17(19)21/h2-9H,11-12H2,1H3