2-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-(2-methoxy-2-oxidanylidene-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-(2-methoxy-2-oxo-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-(2-methoxy-2-oxoethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-(2-methoxy-2-oxoethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C6H6N4O6 MolecularWeight: 230.13504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)CN1C(=NC(=N1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C6H6N4O6/c1-16-3(11)2-9-4(5(12)13)7-6(8-9)10(14)15/h2H2,1H3,(H,12,13)