3-(3,5-dinitro-1,2,4-triazol-1-yl)propanoic acid

Systemtic Name: 3-(3,5-dinitro-1,2,4-triazol-1-yl)propanoic acid Openeye Name: 3-(3,5-dinitro-1,2,4-triazol-1-yl)propanoic acid CAS Name: 3-(3,5-dinitro-1,2,4-triazol-1-yl)propanoic acid IUPAC Name: 3-(3,5-dinitro-1,2,4-triazol-1-yl)propanoic acid Traditional Name: 3-(3,5-dinitro-1,2,4-triazol-1-yl)propionic acid Formula: C5H5N5O6 MolecularWeight: 231.1231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5N5O6/c11-3(12)1-2-8-5(10(15)16)6-4(7-8)9(13)14/h1-2H2,(H,11,12)