1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide

Systemtic Name: 1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide Openeye Name: 1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide CAS Name: 1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide IUPAC Name: 1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide Traditional Name: 1,3-bis(4-nitrobenzyl)imidazol-1-ium bromide Formula: C17H15BrN4O4 MolecularWeight: 419.2294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C[N+](=C2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C[N+](=C2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H15N4O4.BrH/c22-20(23)16-5-1-14(2-6-16)11-18-9-10-19(13-18)12-15-3-7-17(8-4-15)21(24)25;/h1-10,13H,11-12H2;1H/q+1;/p-1