(4-bromanyl-3,5-dinitro-phenyl)-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-3,5-dinitro-phenyl)-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone Openeye Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-(4-bromo-3,5-dinitro-phenyl)methanone CAS Name: (4-bromo-3,5-dinitrophenyl)-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]methanone IUPAC Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-(4-bromo-3,5-dinitrophenyl)methanone Traditional Name: (2-benzyl-3H-benzimidazol-1-ium-1-yl)-(4-bromo-3,5-dinitro-phenyl)methanone Formula: C21H14BrN4O5+ MolecularWeight: 482.26366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3N2)C(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3N2)C(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C21H13BrN4O5/c22-20-17(25(28)29)11-14(12-18(20)26(30)31)21(27)24-16-9-5-4-8-15(16)23-19(24)10-13-6-2-1-3-7-13/h1-9,11-12H,10H2/p+1