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

Systemtic Name: methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-nitro-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-nitro-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C4H4N4O4 MolecularWeight: 172.09896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=NC(=NN1)[N+](=O)[O-]

InChI

InChI=1S/C4H4N4O4/c1-12-3(9)2-5-4(7-6-2)8(10)11/h1H3,(H,5,6,7)