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

Systemtic Name: 2-[2-(1-hydroxyethyloxy)-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-(1-hydroxyethoxy)-2-oxo-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-(1-hydroxyethoxy)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[2-(1-hydroxyethoxy)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[2-(1-hydroxyethoxy)-2-keto-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C7H8N4O7 MolecularWeight: 260.16102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8N4O7/c1-3(12)18-4(13)2-10-5(6(14)15)8-7(9-10)11(16)17/h3,12H,2H2,1H3,(H,14,15)