ethyl 2-[5-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NNC(=N1)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CC1=NNC(=N1)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3O3/c1-2-19-13(18)7-11-15-12(17-16-11)8-20-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,16,17)