(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 2-(4-bromanylphenoxy)ethanoate Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O3/c1-14-19(15(2)23(22-14)17-6-4-3-5-7-17)12-26-20(24)13-25-18-10-8-16(21)9-11-18/h3-11H,12-13H2,1-2H3