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

Systemtic Name: 5-bromanyl-2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-(3-ethyl-5-methylol-1,2,4-triazol-4-yl)benzoic acid Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O3/c1-2-10-14-15-11(6-17)16(10)9-4-3-7(13)5-8(9)12(18)19/h3-5,17H,2,6H2,1H3,(H,18,19)