3-[(4-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(4-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C10H7BrN4O3 MolecularWeight: 311.09158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NNC(=N2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NNC(=N2)C(=O)O)Br

InChI

InChI=1S/C10H7BrN4O3/c11-6-3-1-5(2-4-6)8(16)13-10-12-7(9(17)18)14-15-10/h1-4H,(H,17,18)(H2,12,13,14,15,16)