2-(4,5-diphenyl-1H-imidazol-3-ium-2-yl)-4,6-dinitro-phenol

Systemtic Name: 2-(4,5-diphenyl-1H-imidazol-3-ium-2-yl)-4,6-dinitro-phenol Openeye Name: 2-(4,5-diphenyl-1H-imidazol-3-ium-2-yl)-4,6-dinitro-phenol CAS Name: 2-(4,5-diphenyl-1H-imidazol-3-ium-2-yl)-4,6-dinitrophenol IUPAC Name: 2-(4,5-diphenyl-1H-imidazol-3-ium-2-yl)-4,6-dinitrophenol Traditional Name: 2-(4,5-diphenyl-1H-imidazol-3-ium-2-yl)-4,6-dinitro-phenol Formula: C21H15N4O5+ MolecularWeight: 403.3676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C([NH+]=C(N2)C3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C([NH+]=C(N2)C3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H14N4O5/c26-20-16(11-15(24(27)28)12-17(20)25(29)30)21-22-18(13-7-3-1-4-8-13)19(23-21)14-9-5-2-6-10-14/h1-12,26H,(H,22,23)/p+1