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

Systemtic Name: 2-[3-(3-bromophenyl)-1,2,3-triazol-4-yl]ethanoate Openeye Name: 2-[3-(3-bromophenyl)triazol-4-yl]acetate CAS Name: 2-[3-(3-bromophenyl)-4-triazolyl]acetate IUPAC Name: 2-[3-(3-bromophenyl)triazol-4-yl]acetate Traditional Name: 2-[3-(3-bromophenyl)triazol-4-yl]acetate Formula: C10H7BrN3O2- MolecularWeight: 281.08548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C(=CN=N2)CC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C(=CN=N2)CC(=O)[O-]

InChI

InChI=1S/C10H8BrN3O2/c11-7-2-1-3-8(4-7)14-9(5-10(15)16)6-12-13-14/h1-4,6H,5H2,(H,15,16)/p-1