5-methyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium bromide

Systemtic Name: 5-methyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium bromide Openeye Name: 5-methyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium bromide CAS Name: 5-methyl-3,8-dinitro-6-phenylphenanthridin-5-ium bromide IUPAC Name: 5-methyl-3,8-dinitro-6-phenylphenanthridin-5-ium bromide Traditional Name: 5-methyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium bromide Formula: C20H14BrN3O4 MolecularWeight: 440.24686

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H14N3O4.BrH/c1-21-19-12-15(23(26)27)8-10-17(19)16-9-7-14(22(24)25)11-18(16)20(21)13-5-3-2-4-6-13;/h2-12H,1H3;1H/q+1;/p-1