2-methyl-3-[(4-nitrophenyl)methyl]-1-phenyl-benzo[f]benzimidazol-3-ium-4,9-dione bromide

Systemtic Name: 2-methyl-3-[(4-nitrophenyl)methyl]-1-phenyl-benzo[f]benzimidazol-3-ium-4,9-dione bromide Openeye Name: 2-methyl-3-[(4-nitrophenyl)methyl]-1-phenyl-benzo[f]benzimidazol-3-ium-4,9-dione bromide CAS Name: 2-methyl-3-[(4-nitrophenyl)methyl]-1-phenylbenzo[f]benzimidazol-3-ium-4,9-dione bromide IUPAC Name: 2-methyl-3-[(4-nitrophenyl)methyl]-1-phenylbenzo[f]benzimidazol-3-ium-4,9-dione bromide Traditional Name: 2-methyl-3-(4-nitrobenzyl)-1-phenyl-benzo[f]benzimidazol-3-ium-4,9-quinone bromide Formula: C25H18BrN3O4 MolecularWeight: 504.33212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)CC5=CC=C(C=C5)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=[N+](C2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)CC5=CC=C(C=C5)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C25H18N3O4.BrH/c1-16-26(15-17-11-13-19(14-12-17)28(31)32)22-23(27(16)18-7-3-2-4-8-18)25(30)21-10-6-5-9-20(21)24(22)29;/h2-14H,15H2,1H3;1H/q+1;/p-1