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

Systemtic Name: 2-[2-(1-ethoxyethoxy)-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-(1-ethoxyethoxy)-2-oxo-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-(1-ethoxyethoxy)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[2-(1-ethoxyethoxy)-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[2-(1-ethoxyethoxy)-2-keto-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C9H12N4O7 MolecularWeight: 288.21418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O7/c1-3-19-5(2)20-6(14)4-12-7(8(15)16)10-9(11-12)13(17)18/h5H,3-4H2,1-2H3,(H,15,16)