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

Systemtic Name: 4-bromanyl-2-(1,2,4-triazol-1-yl)benzoic acid Openeye Name: 4-bromo-2-(1,2,4-triazol-1-yl)benzoic acid CAS Name: 4-bromo-2-(1,2,4-triazol-1-yl)benzoic acid IUPAC Name: 4-bromo-2-(1,2,4-triazol-1-yl)benzoic acid Traditional Name: 4-bromo-2-(1,2,4-triazol-1-yl)benzoic acid Formula: C9H6BrN3O2 MolecularWeight: 268.06684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)N2C=NC=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)N2C=NC=N2)C(=O)O

InChI

InChI=1S/C9H6BrN3O2/c10-6-1-2-7(9(14)15)8(3-6)13-5-11-4-12-13/h1-5H,(H,14,15)