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

Systemtic Name: 3-bromanyl-4-(1,2,4-triazol-4-yl)benzoic acid Openeye Name: 3-bromo-4-(1,2,4-triazol-4-yl)benzoic acid CAS Name: 3-bromo-4-(1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 3-bromo-4-(1,2,4-triazol-4-yl)benzoic acid Traditional Name: 3-bromo-4-(1,2,4-triazol-4-yl)benzoic acid Formula: C9H6BrN3O2 MolecularWeight: 268.06684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)Br)N2C=NN=C2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)Br)N2C=NN=C2

InChI

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