2-(5-methyl-6-nitro-7-oxidanidyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanoate

Systemtic Name: 2-(5-methyl-6-nitro-7-oxidanidyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanoate Openeye Name: 2-(5-methyl-6-nitro-7-oxido-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate CAS Name: 2-(5-methyl-6-nitro-7-oxido-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate IUPAC Name: 2-(5-methyl-6-nitro-7-oxido-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate Traditional Name: 2-(5-methyl-6-nitro-7-oxido-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate Formula: C8H5N5O5-2 MolecularWeight: 251.1558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1[N+](=O)[O-])[O-])CC(=O)[O-]

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1[N+](=O)[O-])[O-])CC(=O)[O-]

InChI

InChI=1S/C8H7N5O5/c1-3-6(13(17)18)7(16)12-8(9-3)10-4(11-12)2-5(14)15/h16H,2H2,1H3,(H,14,15)/p-2