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

Systemtic Name: 5-bromanyl-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 5-bromo-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 5-bromo-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 5-bromo-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 5-bromo-2-(3-methyl-5-methylol-1,2,4-triazol-4-yl)benzoic acid Formula: C11H10BrN3O3 MolecularWeight: 312.1194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)CO

Isomeric SMILES

CC1=NN=C(N1C2=C(C=C(C=C2)Br)C(=O)O)CO

InChI

InChI=1S/C11H10BrN3O3/c1-6-13-14-10(5-16)15(6)9-3-2-7(12)4-8(9)11(17)18/h2-4,16H,5H2,1H3,(H,17,18)