(4-methyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-(5-nitrofuran-2-yl)methanone

Systemtic Name: (4-methyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-(5-nitrofuran-2-yl)methanone Openeye Name: (4-methyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-(5-nitro-2-furyl)methanone CAS Name: (4-methyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-(5-nitro-2-furanyl)methanone IUPAC Name: (4-methyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-(5-nitrofuran-2-yl)methanone Traditional Name: (4-methyl-2-phenyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-(5-nitro-2-furyl)methanone Formula: C21H15N4O4+ MolecularWeight: 387.3682

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2NC(=C(N2C3=CC=CC=C31)C(=O)C4=CC=C(O4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C[N+]1=C2NC(=C(N2C3=CC=CC=C31)C(=O)C4=CC=C(O4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C21H14N4O4/c1-23-14-9-5-6-10-15(14)24-19(20(26)16-11-12-17(29-16)25(27)28)18(22-21(23)24)13-7-3-2-4-8-13/h2-12H,1H3/p+1