2-(2,5-dimethylphenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium

Systemtic Name: 2-(2,5-dimethylphenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 2-(2,5-dimethylphenyl)-4,6-dinitro-1-oxido-benzotriazol-1-ium CAS Name: 2-(2,5-dimethylphenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium IUPAC Name: 2-(2,5-dimethylphenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium Traditional Name: 2-(2,5-dimethylphenyl)-4,6-dinitro-1-oxido-benzotriazol-1-ium Formula: C14H11N5O5 MolecularWeight: 329.26764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O5/c1-8-3-4-9(2)11(5-8)16-15-14-12(17(16)20)6-10(18(21)22)7-13(14)19(23)24/h3-7H,1-2H3