1-(2,6-dimethyl-3-nitro-pyridin-4-yl)-1-oxidanidyl-1,2-diazepan-1-ium

Systemtic Name: 1-(2,6-dimethyl-3-nitro-pyridin-4-yl)-1-oxidanidyl-1,2-diazepan-1-ium Openeye Name: 1-(2,6-dimethyl-3-nitro-4-pyridyl)-1-oxido-diazepan-1-ium CAS Name: 1-(2,6-dimethyl-3-nitro-4-pyridinyl)-1-oxidodiazepan-1-ium IUPAC Name: 1-(2,6-dimethyl-3-nitropyridin-4-yl)-1-oxidodiazepan-1-ium Traditional Name: 1-(2,6-dimethyl-3-nitro-4-pyridyl)-1-oxido-diazepan-1-ium Formula: C12H18N4O3 MolecularWeight: 266.29632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)[N+]2(CCCCCN2)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=NC(=C(C(=C1)[N+]2(CCCCCN2)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C12H18N4O3/c1-9-8-11(12(15(17)18)10(2)14-9)16(19)7-5-3-4-6-13-16/h8,13H,3-7H2,1-2H3