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

Systemtic Name: 2-(2,5-dimethylphenyl)-6-nitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 2-(2,5-dimethylphenyl)-6-nitro-1-oxido-benzotriazol-1-ium CAS Name: 2-(2,5-dimethylphenyl)-6-nitro-1-oxidobenzotriazol-1-ium IUPAC Name: 2-(2,5-dimethylphenyl)-6-nitro-1-oxidobenzotriazol-1-ium Traditional Name: 2-(2,5-dimethylphenyl)-6-nitro-1-oxido-benzotriazol-1-ium Formula: C14H12N4O3 MolecularWeight: 284.27008

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3/c1-9-3-4-10(2)13(7-9)16-15-12-6-5-11(18(20)21)8-14(12)17(16)19/h3-8H,1-2H3