5-(4-bromanyl-2-fluoranyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 5-(4-bromanyl-2-fluoranyl-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: 5-(4-bromo-2-fluoro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-(4-bromo-2-fluorophenoxy)-1,3-dimethyl-4-pyrazolecarboxylate IUPAC Name: 5-(4-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-(4-bromo-2-fluoro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxylate Formula: C12H9BrFN2O3- MolecularWeight: 328.113863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])OC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])OC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C12H10BrFN2O3/c1-6-10(12(17)18)11(16(2)15-6)19-9-4-3-7(13)5-8(9)14/h3-5H,1-2H3,(H,17,18)/p-1