6-bromanyl-3-methoxy-4-nitro-1-oxidanidyl-pyridazin-1-ium

Systemtic Name: 6-bromanyl-3-methoxy-4-nitro-1-oxidanidyl-pyridazin-1-ium Openeye Name: 6-bromo-3-methoxy-4-nitro-1-oxido-pyridazin-1-ium CAS Name: 6-bromo-3-methoxy-4-nitro-1-oxidopyridazin-1-ium IUPAC Name: 6-bromo-3-methoxy-4-nitro-1-oxidopyridazin-1-ium Traditional Name: 6-bromo-3-methoxy-4-nitro-1-oxido-pyridazin-1-ium Formula: C5H4BrN3O4 MolecularWeight: 250.00696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=N[N+](=C(C=C1[N+](=O)[O-])Br)[O-]

Isomeric SMILES

COC1=N[N+](=C(C=C1[N+](=O)[O-])Br)[O-]

InChI

InChI=1S/C5H4BrN3O4/c1-13-5-3(9(11)12)2-4(6)8(10)7-5/h2H,1H3