2-(3-chloranyl-4-nitro-phenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium

Systemtic Name: 2-(3-chloranyl-4-nitro-phenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 2-(3-chloro-4-nitro-phenyl)-4,6-dinitro-1-oxido-benzotriazol-1-ium CAS Name: 2-(3-chloro-4-nitrophenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium IUPAC Name: 2-(3-chloro-4-nitrophenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium Traditional Name: 2-(3-chloro-4-nitro-phenyl)-4,6-dinitro-1-oxido-benzotriazol-1-ium Formula: C12H5ClN6O7 MolecularWeight: 380.6571

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2N=C3C(=CC(=CC3=[N+]2[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N2N=C3C(=CC(=CC3=[N+]2[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H5ClN6O7/c13-8-3-6(1-2-9(8)18(23)24)15-14-12-10(16(15)20)4-7(17(21)22)5-11(12)19(25)26/h1-5H