2-[3-(bromomethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 2-[3-(bromomethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-(bromomethyl)-5-isopropyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-(bromomethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-(bromomethyl)-5-propan-2-yl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-[3-(bromomethyl)-5-isopropyl-1,2,4-triazol-4-yl]benzoic acid Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=CC=C2C(=O)O)CBr

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=CC=C2C(=O)O)CBr

InChI

InChI=1S/C13H14BrN3O2/c1-8(2)12-16-15-11(7-14)17(12)10-6-4-3-5-9(10)13(18)19/h3-6,8H,7H2,1-2H3,(H,18,19)