dimethyl 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(2-chloro-6-fluoro-phenyl)methyl]triazole-4,5-dicarboxylate CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(2-chloro-6-fluorophenyl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-(2-chloro-6-fluoro-benzyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H11ClFN3O4 MolecularWeight: 327.695543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC2=C(C=CC=C2Cl)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC2=C(C=CC=C2Cl)F)C(=O)OC

InChI

InChI=1S/C13H11ClFN3O4/c1-21-12(19)10-11(13(20)22-2)18(17-16-10)6-7-8(14)4-3-5-9(7)15/h3-5H,6H2,1-2H3