5-methyl-2-(2-methylphenyl)-6-nitro-1-oxidanidyl-benzotriazol-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2N=C3C=C(C(=CC3=[N+]2[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2N=C3C=C(C(=CC3=[N+]2[O-])[N+](=O)[O-])C

InChI

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