1-methyl-6,8-dinitro-5H-[1,2,3]triazolo[1,2-a]benzotriazol-10-ium

Systemtic Name: 1-methyl-6,8-dinitro-5H-[1,2,3]triazolo[1,2-a]benzotriazol-10-ium Openeye Name: 1-methyl-6,8-dinitro-5H-triazolo[1,2-a]benzotriazol-10-ium CAS Name: 1-methyl-6,8-dinitro-5H-triazolo[1,2-a]benzotriazol-10-ium IUPAC Name: 1-methyl-6,8-dinitro-5H-triazolo[1,2-a]benzotriazol-10-ium Traditional Name: 1-methyl-6,8-dinitro-5H-triazolo[1,2-a]benzotriazol-10-ium Formula: C9H7N6O4+ MolecularWeight: 263.18968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C3=CC(=CC(=C3NN2N=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=[N+]2C3=CC(=CC(=C3NN2N=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7N6O4/c1-5-4-10-15-11-9-7(12(5)15)2-6(13(16)17)3-8(9)14(18)19/h2-4H,1H3,(H,10,11)/q+1