2-(4-methylphenyl)-6-nitro-1-oxidanidyl-benzotriazol-1-ium

Systemtic Name: 2-(4-methylphenyl)-6-nitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 6-nitro-1-oxido-2-(p-tolyl)benzotriazol-1-ium CAS Name: 2-(4-methylphenyl)-6-nitro-1-oxidobenzotriazol-1-ium IUPAC Name: 2-(4-methylphenyl)-6-nitro-1-oxidobenzotriazol-1-ium Traditional Name: 6-nitro-1-oxido-2-(p-tolyl)benzotriazol-1-ium Formula: C13H10N4O3 MolecularWeight: 270.2435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O3/c1-9-2-4-10(5-3-9)15-14-12-7-6-11(17(19)20)8-13(12)16(15)18/h2-8H,1H3