3H-benzimidazol-1-ium-1-yl-(5-nitrofuran-2-yl)methanone

Systemtic Name: 3H-benzimidazol-1-ium-1-yl-(5-nitrofuran-2-yl)methanone Openeye Name: 3H-benzimidazol-1-ium-1-yl-(5-nitro-2-furyl)methanone CAS Name: 3H-benzimidazol-1-ium-1-yl-(5-nitro-2-furanyl)methanone IUPAC Name: 3H-benzimidazol-1-ium-1-yl-(5-nitrofuran-2-yl)methanone Traditional Name: 3H-benzimidazol-1-ium-1-yl-(5-nitro-2-furyl)methanone Formula: C12H8N3O4+ MolecularWeight: 258.20962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O4/c16-12(10-5-6-11(19-10)15(17)18)14-7-13-8-3-1-2-4-9(8)14/h1-7H/p+1