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

Systemtic Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]ethanal Openeye Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetaldehyde CAS Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetaldehyde IUPAC Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetaldehyde Traditional Name: 2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetaldehyde Formula: C10H8N4O3 MolecularWeight: 232.19552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N4O3/c15-6-5-9-11-10(13-12-9)7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H,11,12,13)