6-chloranyl-4-nitro-2H-benzotriazole; 5-methylphenazin-5-ium-1,3-diamine; chloride

Systemtic Name: 6-chloranyl-4-nitro-2H-benzotriazole; 5-methylphenazin-5-ium-1,3-diamine; chloride Openeye Name: 6-chloro-4-nitro-2H-benzotriazole; 5-methylphenazin-5-ium-1,3-diamine; chloride CAS Name: 6-chloro-4-nitro-2H-benzotriazole; 5-methylphenazin-5-ium-1,3-diamine; chloride IUPAC Name: 6-chloro-4-nitro-2H-benzotriazole; 5-methylphenazin-5-ium-1,3-diamine; chloride Traditional Name: (3-amino-5-methyl-phenazin-5-ium-1-yl)amine; 6-chloro-4-nitro-2H-benzotriazole; chloride Formula: C19H16Cl2N8O2 MolecularWeight: 459.28874

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=C(C2=NC3=CC=CC=C31)N)N.C1=C(C=C(C2=NNN=C21)[N+](=O)[O-])Cl.[Cl-]

Isomeric SMILES

C[N+]1=C2C=C(C=C(C2=NC3=CC=CC=C31)N)N.C1=C(C=C(C2=NNN=C21)[N+](=O)[O-])Cl.[Cl-]

InChI

InChI=1S/C13H12N4.C6H3ClN4O2.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;7-3-1-4-6(9-10-8-4)5(2-3)11(12)13;/h2-7H,1H3,(H3,14,15);1-2H,(H,8,9,10);1H