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

Systemtic Name: 3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid Openeye Name: 3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid CAS Name: 3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid IUPAC Name: 3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid Traditional Name: 3-(3-nitro-1,2,4-triazol-1-yl)propionic acid Formula: C5H6N4O4 MolecularWeight: 186.12554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NN1CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=NN1CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C5H6N4O4/c10-4(11)1-2-8-3-6-5(7-8)9(12)13/h3H,1-2H2,(H,10,11)