methyl 1-(cyanomethyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 1-(cyanomethyl)-1,2,4-triazole-3-carboxylate Openeye Name: methyl 1-(cyanomethyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(cyanomethyl)-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(cyanomethyl)-1,2,4-triazole-3-carboxylate Traditional Name: 1-(cyanomethyl)-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C6H6N4O2 MolecularWeight: 166.13744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=N1)CC#N

Isomeric SMILES

COC(=O)C1=NN(C=N1)CC#N

InChI

InChI=1S/C6H6N4O2/c1-12-6(11)5-8-4-10(9-5)3-2-7/h4H,3H2,1H3