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

Systemtic Name: 2-(5-methyl-6-nitro-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanoate Openeye Name: 2-(5-methyl-6-nitro-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate CAS Name: 2-(5-methyl-6-nitro-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate IUPAC Name: 2-(5-methyl-6-nitro-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate Traditional Name: 2-(7-keto-5-methyl-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate Formula: C8H6N5O5- MolecularWeight: 252.16374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=C(N2)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=C(N2)CC(=O)[O-])[N+](=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/h2H2,1H3,(H,14,15)(H,9,10,11)/p-1