ethyl 2-[4-(4-bromophenyl)-1,2,3-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-bromophenyl)-1,2,3-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-bromophenyl)triazol-1-yl]acetate CAS Name: 2-[4-(4-bromophenyl)-1-triazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-bromophenyl)triazol-1-yl]acetate Traditional Name: 2-[4-(4-bromophenyl)triazol-1-yl]acetic acid ethyl ester Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(N=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CN1C=C(N=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H12BrN3O2/c1-2-18-12(17)8-16-7-11(14-15-16)9-3-5-10(13)6-4-9/h3-7H,2,8H2,1H3