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

Systemtic Name: 5-chloranyl-2-(4-methylphenyl)-6-nitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 5-chloro-6-nitro-1-oxido-2-(p-tolyl)benzotriazol-1-ium CAS Name: 5-chloro-2-(4-methylphenyl)-6-nitro-1-oxidobenzotriazol-1-ium IUPAC Name: 5-chloro-2-(4-methylphenyl)-6-nitro-1-oxidobenzotriazol-1-ium Traditional Name: 5-chloro-6-nitro-1-oxido-2-(p-tolyl)benzotriazol-1-ium Formula: C13H9ClN4O3 MolecularWeight: 304.68856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN4O3/c1-8-2-4-9(5-3-8)16-15-11-6-10(14)12(18(20)21)7-13(11)17(16)19/h2-7H,1H3