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

Systemtic Name: 2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide Openeye Name: 2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide CAS Name: 2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide IUPAC Name: 2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide Traditional Name: 2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide Formula: C20H16BrN5O2 MolecularWeight: 438.27734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N5O2.BrH/c26-25(27)19-13-11-18(12-14-19)24-15-23(17-9-5-2-6-10-17)21-20(22-24)16-7-3-1-4-8-16;/h1-14H,15H2;1H/q+1;/p-1