2-(4-bromophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 2-(4-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-3-keto-1H-1,2,4-triazole-5-carboxylic acid Formula: C9H6BrN3O3 MolecularWeight: 284.06624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)N=C(N2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)N=C(N2)C(=O)O)Br

InChI

InChI=1S/C9H6BrN3O3/c10-5-1-3-6(4-2-5)13-9(16)11-7(12-13)8(14)15/h1-4H,(H,14,15)(H,11,12,16)