5-[(2-nitrophenyl)methyl]-1,2-dihydro-1,2,4-triazol-3-one

Systemtic Name: 5-[(2-nitrophenyl)methyl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[(2-nitrophenyl)methyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[(2-nitrophenyl)methyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[(2-nitrophenyl)methyl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-(2-nitrobenzyl)-1,2-dihydro-1,2,4-triazol-3-one Formula: C9H8N4O3 MolecularWeight: 220.18482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NC(=O)NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NC(=O)NN2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O3/c14-9-10-8(11-12-9)5-6-3-1-2-4-7(6)13(15)16/h1-4H,5H2,(H2,10,11,12,14)