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

Systemtic Name: 2-[1-(2-hydroxyethylamino)-1-oxidanylidene-propan-2-yl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-(2-hydroxyethylamino)-1-methyl-2-oxo-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[2-(2-hydroxyethylamino)-2-keto-1-methyl-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C8H11N5O6 MolecularWeight: 273.20284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCO)N1C(=NC(=N1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C(=O)NCCO)N1C(=NC(=N1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H11N5O6/c1-4(6(15)9-2-3-14)12-5(7(16)17)10-8(11-12)13(18)19/h4,14H,2-3H2,1H3,(H,9,15)(H,16,17)