2-[2-(1-hydroxyethylamino)-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-[2-(1-hydroxyethylamino)-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-(1-hydroxyethylamino)-2-oxo-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-(1-hydroxyethylamino)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[2-(1-hydroxyethylamino)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[2-(1-hydroxyethylamino)-2-keto-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C7H9N5O6 MolecularWeight: 259.17626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N5O6/c1-3(13)8-4(14)2-11-5(6(15)16)9-7(10-11)12(17)18/h3,13H,2H2,1H3,(H,8,14)(H,15,16)