5-methyl-4,6-dinitro-1-oxidanidyl-1-oxidanyl-3H-2,1,3-benzoxadiazol-1-ium

Systemtic Name: 5-methyl-4,6-dinitro-1-oxidanidyl-1-oxidanyl-3H-2,1,3-benzoxadiazol-1-ium Openeye Name: 1-hydroxy-5-methyl-4,6-dinitro-1-oxido-3H-2,1,3-benzoxadiazol-1-ium CAS Name: 1-hydroxy-5-methyl-4,6-dinitro-1-oxido-3H-2,1,3-benzoxadiazol-1-ium IUPAC Name: 1-hydroxy-5-methyl-4,6-dinitro-1-oxido-3H-2,1,3-benzoxadiazol-1-ium Traditional Name: 3-hydroxy-6-methyl-5,7-dinitro-3-oxido-1H-benzofurazan-3-ium Formula: C7H6N4O7 MolecularWeight: 258.14514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1[N+](=O)[O-])[N+](ON2)(O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1[N+](=O)[O-])[N+](ON2)(O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H6N4O7/c1-3-4(9(12)13)2-5-6(7(3)10(14)15)8-18-11(5,16)17/h2,8,16H,1H3