2-(4-methylphenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium

Systemtic Name: 2-(4-methylphenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 4,6-dinitro-1-oxido-2-(p-tolyl)benzotriazol-1-ium CAS Name: 2-(4-methylphenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium IUPAC Name: 2-(4-methylphenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium Traditional Name: 4,6-dinitro-1-oxido-2-(p-tolyl)benzotriazol-1-ium Formula: C13H9N5O5 MolecularWeight: 315.24106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C(=CC(=CC3=[N+]2[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C(=CC(=CC3=[N+]2[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O5/c1-8-2-4-9(5-3-8)15-14-13-11(16(15)19)6-10(17(20)21)7-12(13)18(22)23/h2-7H,1H3