dimethyl 1-[2,4-bis(bromanyl)-6-fluoranyl-phenyl]pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-[2,4-bis(bromanyl)-6-fluoranyl-phenyl]pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 1-(2,4-dibromo-6-fluoro-phenyl)pyrazole-3,4-dicarboxylate CAS Name: 1-(2,4-dibromo-6-fluorophenyl)pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(2,4-dibromo-6-fluorophenyl)pyrazole-3,4-dicarboxylate Traditional Name: 1-(2,4-dibromo-6-fluoro-phenyl)pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C13H9Br2FN2O4 MolecularWeight: 436.027963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C(=O)OC)C2=C(C=C(C=C2F)Br)Br

Isomeric SMILES

COC(=O)C1=CN(N=C1C(=O)OC)C2=C(C=C(C=C2F)Br)Br

InChI

InChI=1S/C13H9Br2FN2O4/c1-21-12(19)7-5-18(17-10(7)13(20)22-2)11-8(15)3-6(14)4-9(11)16/h3-5H,1-2H3