4,6-dinitro-1-oxidanidyl-2-phenyl-benzotriazol-1-ium

Systemtic Name: 4,6-dinitro-1-oxidanidyl-2-phenyl-benzotriazol-1-ium Openeye Name: 4,6-dinitro-1-oxido-2-phenyl-benzotriazol-1-ium CAS Name: 4,6-dinitro-1-oxido-2-phenylbenzotriazol-1-ium IUPAC Name: 4,6-dinitro-1-oxido-2-phenylbenzotriazol-1-ium Traditional Name: 4,6-dinitro-1-oxido-2-phenyl-benzotriazol-1-ium Formula: C12H7N5O5 MolecularWeight: 301.21448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7N5O5/c18-15-10-6-9(16(19)20)7-11(17(21)22)12(10)13-14(15)8-4-2-1-3-5-8/h1-7H