ethyl 5-[bromanyl-bis(fluoranyl)methyl]-1-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-[bromanyl-bis(fluoranyl)methyl]-1-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-[bromo(difluoro)methyl]-1-phenyl-triazole-4-carboxylate CAS Name: 5-[bromo(difluoro)methyl]-1-phenyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[bromo(difluoro)methyl]-1-phenyltriazole-4-carboxylate Traditional Name: 5-[bromo(difluoro)methyl]-1-phenyl-triazole-4-carboxylic acid ethyl ester Formula: C12H10BrF2N3O2 MolecularWeight: 346.127506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC=CC=C2)C(F)(F)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC=CC=C2)C(F)(F)Br

InChI

InChI=1S/C12H10BrF2N3O2/c1-2-20-11(19)9-10(12(13,14)15)18(17-16-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3