methyl 2-(4-bromophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 2-(4-bromophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 2-(4-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(4-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 2-(4-bromophenyl)-3-keto-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C10H8BrN3O3 MolecularWeight: 298.09282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=O)N(N1)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=NC(=O)N(N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H8BrN3O3/c1-17-9(15)8-12-10(16)14(13-8)7-4-2-6(11)3-5-7/h2-5H,1H3,(H,12,13,16)