2-(2-bromanyl-5-nitro-phenyl)-5-tert-butyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(2-bromanyl-5-nitro-phenyl)-5-tert-butyl-1H-1,2,4-triazol-3-one Openeye Name: 2-(2-bromo-5-nitro-phenyl)-5-tert-butyl-1H-1,2,4-triazol-3-one CAS Name: 2-(2-bromo-5-nitrophenyl)-5-tert-butyl-1H-1,2,4-triazol-3-one IUPAC Name: 2-(2-bromo-5-nitrophenyl)-5-tert-butyl-1H-1,2,4-triazol-3-one Traditional Name: 2-(2-bromo-5-nitro-phenyl)-5-tert-butyl-1H-1,2,4-triazol-3-one Formula: C12H13BrN4O3 MolecularWeight: 341.16062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=CC(=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H13BrN4O3/c1-12(2,3)10-14-11(18)16(15-10)9-6-7(17(19)20)4-5-8(9)13/h4-6H,1-3H3,(H,14,15,18)