sodium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: sodium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanone Openeye Name: sodium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanone CAS Name: sodium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanone IUPAC Name: sodium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanone Traditional Name: sodium 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanone Formula: C10H7N4NaO3 MolecularWeight: 254.17735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N4O3.Na/c15-6-5-9-11-10(13-12-9)7-1-3-8(4-2-7)14(16)17;/h1-4H,5H2,(H,11,12,13);/q-1;+1