methyl 5-bromanyl-1H-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1H-1,2,4-triazole-3-carboxylate Openeye Name: methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-bromo-1H-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-bromo-1H-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C4H4BrN3O2 MolecularWeight: 205.99746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(=N1)Br

Isomeric SMILES

COC(=O)C1=NNC(=N1)Br

InChI

InChI=1S/C4H4BrN3O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H,6,7,8)