7-(3-nitrophenyl)-3-oxidanidyl-6-oxidanyl-4,5-dihydroimidazo[4,5-e][2,1,3]benzoxadiazol-3-ium

Systemtic Name: 7-(3-nitrophenyl)-3-oxidanidyl-6-oxidanyl-4,5-dihydroimidazo[4,5-e][2,1,3]benzoxadiazol-3-ium Openeye Name: 6-hydroxy-7-(3-nitrophenyl)-3-oxido-4,5-dihydroimidazo[4,5-e][2,1,3]benzoxadiazol-3-ium CAS Name: 6-hydroxy-7-(3-nitrophenyl)-3-oxido-4,5-dihydroimidazo[4,5-e][2,1,3]benzoxadiazol-3-ium IUPAC Name: 6-hydroxy-7-(3-nitrophenyl)-3-oxido-4,5-dihydroimidazo[4,5-e][2,1,3]benzoxadiazol-3-ium Traditional Name: 6-hydroxy-7-(3-nitrophenyl)-3-oxido-4,5-dihydroimidazo[4,5-e][2,1,3]benzoxadiazol-3-ium Formula: C13H9N5O5 MolecularWeight: 315.24106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](ON=C2C3=C1N(C(=N3)C4=CC(=CC=C4)[N+](=O)[O-])O)[O-]

Isomeric SMILES

C1CC2=[N+](ON=C2C3=C1N(C(=N3)C4=CC(=CC=C4)[N+](=O)[O-])O)[O-]

InChI

InChI=1S/C13H9N5O5/c19-16-9-4-5-10-12(15-23-18(10)22)11(9)14-13(16)7-2-1-3-8(6-7)17(20)21/h1-3,6,19H,4-5H2