2-(3-acetyloxy-2-oxidanyl-propyl)-5-nitro-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-(3-acetyloxy-2-oxidanyl-propyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-(3-acetoxy-2-hydroxy-propyl)-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-(3-acetyloxy-2-hydroxypropyl)-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-(3-acetyloxy-2-hydroxypropyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-(3-acetoxy-2-hydroxy-propyl)-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C8H10N4O7 MolecularWeight: 274.1876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N4O7/c1-4(13)19-3-5(14)2-11-6(7(15)16)9-8(10-11)12(17)18/h5,14H,2-3H2,1H3,(H,15,16)