2-(4-bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide

Systemtic Name: 2-(4-bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide Openeye Name: 2-(4-bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide CAS Name: 2-(4-bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide IUPAC Name: 2-(4-bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide Traditional Name: 2-(4-bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide Formula: C20H15Br2N5O2 MolecularWeight: 517.1734

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Descriptors Computed from Structure

Canonical SMILES:

C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C20H15BrN5O2.BrH/c21-16-9-11-18(12-10-16)25-14-24(17-6-2-1-3-7-17)22-20(23-25)15-5-4-8-19(13-15)26(27)28;/h1-13H,14H2;1H/q+1;/p-1