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

Systemtic Name: 2-[2-[1-(1-hydroxyethyloxy)ethoxy]-2-oxidanylidene-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-[2-[1-(1-hydroxyethoxy)ethoxy]-2-oxo-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid CAS Name: 2-[2-[1-(1-hydroxyethoxy)ethoxy]-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-[2-[1-(1-hydroxyethoxy)ethoxy]-2-oxoethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-[2-[1-(1-hydroxyethoxy)ethoxy]-2-keto-ethyl]-5-nitro-1,2,4-triazole-3-carboxylic acid Formula: C9H12N4O8 MolecularWeight: 304.21358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O8/c1-4(14)20-5(2)21-6(15)3-12-7(8(16)17)10-9(11-12)13(18)19/h4-5,14H,3H2,1-2H3,(H,16,17)