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

Systemtic Name: 5-bromanyl-2-(3-methyl-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 5-bromo-2-(3-methyl-1,2,4-triazol-4-yl)benzoic acid CAS Name: 5-bromo-2-(3-methyl-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 5-bromo-2-(3-methyl-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 5-bromo-2-(3-methyl-1,2,4-triazol-4-yl)benzoic acid Formula: C10H8BrN3O2 MolecularWeight: 282.09342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=CN1C2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=NN=CN1C2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C10H8BrN3O2/c1-6-13-12-5-14(6)9-3-2-7(11)4-8(9)10(15)16/h2-5H,1H3,(H,15,16)