potassium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: potassium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: potassium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: potassium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate IUPAC Name: potassium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: potassium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate Formula: C10H7KN4O4 MolecularWeight: 286.28528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=N2)CC(=O)[O-])[N+](=O)[O-].[K+]

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=N2)CC(=O)[O-])[N+](=O)[O-].[K+]

InChI

InChI=1S/C10H8N4O4.K/c15-9(16)5-8-11-10(13-12-8)6-1-3-7(4-2-6)14(17)18;/h1-4H,5H2,(H,15,16)(H,11,12,13);/q;+1/p-1