2-(4-bromophenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium

Systemtic Name: 2-(4-bromophenyl)-4,6-dinitro-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 2-(4-bromophenyl)-4,6-dinitro-1-oxido-benzotriazol-1-ium CAS Name: 2-(4-bromophenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium IUPAC Name: 2-(4-bromophenyl)-4,6-dinitro-1-oxidobenzotriazol-1-ium Traditional Name: 2-(4-bromophenyl)-4,6-dinitro-1-oxido-benzotriazol-1-ium Formula: C12H6BrN5O5 MolecularWeight: 380.11054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6BrN5O5/c13-7-1-3-8(4-2-7)15-14-12-10(16(15)19)5-9(17(20)21)6-11(12)18(22)23/h1-6H