4-nitro-3-(1,2,4-triazol-4-yl)-1H-pyrazole-5-carboxylate

Systemtic Name: 4-nitro-3-(1,2,4-triazol-4-yl)-1H-pyrazole-5-carboxylate Openeye Name: 4-nitro-3-(1,2,4-triazol-4-yl)-1H-pyrazole-5-carboxylate CAS Name: 4-nitro-3-(1,2,4-triazol-4-yl)-1H-pyrazole-5-carboxylate IUPAC Name: 4-nitro-3-(1,2,4-triazol-4-yl)-1H-pyrazole-5-carboxylate Traditional Name: 4-nitro-3-(1,2,4-triazol-4-yl)-1H-pyrazole-5-carboxylate Formula: C6H3N6O4- MolecularWeight: 223.12582

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN=CN1C2=NNC(=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=NN=CN1C2=NNC(=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C6H4N6O4/c13-6(14)3-4(12(15)16)5(10-9-3)11-1-7-8-2-11/h1-2H,(H,9,10)(H,13,14)/p-1