4,5-bis(bromanyl)-2-(4-methylphenyl)-6-nitro-1-oxidanidyl-benzotriazol-1-ium

Systemtic Name: 4,5-bis(bromanyl)-2-(4-methylphenyl)-6-nitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 4,5-dibromo-6-nitro-1-oxido-2-(p-tolyl)benzotriazol-1-ium CAS Name: 4,5-dibromo-2-(4-methylphenyl)-6-nitro-1-oxidobenzotriazol-1-ium IUPAC Name: 4,5-dibromo-2-(4-methylphenyl)-6-nitro-1-oxidobenzotriazol-1-ium Traditional Name: 4,5-dibromo-6-nitro-1-oxido-2-(p-tolyl)benzotriazol-1-ium Formula: C13H8Br2N4O3 MolecularWeight: 428.03562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C(=[N+]2[O-])C=C(C(=C3Br)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C(=[N+]2[O-])C=C(C(=C3Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H8Br2N4O3/c1-7-2-4-8(5-3-7)17-16-13-10(18(17)20)6-9(19(21)22)11(14)12(13)15/h2-6H,1H3