dimethyl 1-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(3-chloro-4-fluoro-phenyl)triazole-4,5-dicarboxylate CAS Name: 1-(3-chloro-4-fluorophenyl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(3-chloro-4-fluorophenyl)triazole-4,5-dicarboxylate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C12H9ClFN3O4 MolecularWeight: 313.668963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=CC(=C(C=C2)F)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=CC(=C(C=C2)F)Cl)C(=O)OC

InChI

InChI=1S/C12H9ClFN3O4/c1-20-11(18)9-10(12(19)21-2)17(16-15-9)6-3-4-8(14)7(13)5-6/h3-5H,1-2H3