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

Systemtic Name: 5-bromanyl-2-[3-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-(3-methylol-1,2,4-triazol-4-yl)benzoic acid Formula: C10H8BrN3O3 MolecularWeight: 298.09282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)N2C=NN=C2CO

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)N2C=NN=C2CO

InChI

InChI=1S/C10H8BrN3O3/c11-6-1-2-8(7(3-6)10(16)17)14-5-12-13-9(14)4-15/h1-3,5,15H,4H2,(H,16,17)