dimethyl 1-(4,6-diazido-3,5-dicyano-pyridin-2-yl)-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-(4,6-diazido-3,5-dicyano-pyridin-2-yl)-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(4,6-diazido-3,5-dicyano-2-pyridyl)triazole-4,5-dicarboxylate CAS Name: 1-(4,6-diazido-3,5-dicyano-2-pyridinyl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4,6-diazido-3,5-dicyanopyridin-2-yl)triazole-4,5-dicarboxylate Traditional Name: 1-(4,6-diazido-3,5-dicyano-2-pyridyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H6N12O4 MolecularWeight: 394.26474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=C(C(=C(C(=N2)N=[N+]=[N-])C#N)N=[N+]=[N-])C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=C(C(=C(C(=N2)N=[N+]=[N-])C#N)N=[N+]=[N-])C#N)C(=O)OC

InChI

InChI=1S/C13H6N12O4/c1-28-12(26)8-9(13(27)29-2)25(24-20-8)11-6(4-15)7(19-22-16)5(3-14)10(18-11)21-23-17/h1-2H3