2-bromanyl-2-[2-(2-phenylpropan-2-yl)-1,2,3,4-tetrazol-5-yl]ethanoic acid

Systemtic Name: 2-bromanyl-2-[2-(2-phenylpropan-2-yl)-1,2,3,4-tetrazol-5-yl]ethanoic acid Openeye Name: 2-bromo-2-[2-(1-methyl-1-phenyl-ethyl)tetrazol-5-yl]acetic acid CAS Name: 2-bromo-2-[2-(2-phenylpropan-2-yl)-5-tetrazolyl]acetic acid IUPAC Name: 2-bromo-2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]acetic acid Traditional Name: 2-bromo-2-(2-cumyltetrazol-5-yl)acetic acid Formula: C12H13BrN4O2 MolecularWeight: 325.16122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)N2N=C(N=N2)C(C(=O)O)Br

Isomeric SMILES

CC(C)(C1=CC=CC=C1)N2N=C(N=N2)C(C(=O)O)Br

InChI

InChI=1S/C12H13BrN4O2/c1-12(2,8-6-4-3-5-7-8)17-15-10(14-16-17)9(13)11(18)19/h3-7,9H,1-2H3,(H,18,19)