tert-butyl 2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: tert-butyl 2-[5-(4-bromophenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-2-tetrazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(4-bromophenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]acetic acid tert-butyl ester Formula: C13H15BrN4O2 MolecularWeight: 339.1878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN4O2/c1-13(2,3)20-11(19)8-18-16-12(15-17-18)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3