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

Systemtic Name: 5-bromanyl-2-[3-(bromomethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-(bromomethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-(bromomethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-(bromomethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-[3-(bromomethyl)-5-ethyl-1,2,4-triazol-4-yl]benzoic acid Formula: C12H11Br2N3O2 MolecularWeight: 389.04264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)CBr

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)CBr

InChI

InChI=1S/C12H11Br2N3O2/c1-2-10-15-16-11(6-13)17(10)9-4-3-7(14)5-8(9)12(18)19/h3-5H,2,6H2,1H3,(H,18,19)