2-(5-nitrofuran-2-yl)-1H-benzimidazole hydrate

Systemtic Name: 2-(5-nitrofuran-2-yl)-1H-benzimidazole hydrate Openeye Name: 2-(5-nitro-2-furyl)-1H-benzimidazole hydrate CAS Name: 2-(5-nitro-2-furanyl)-1H-benzimidazole hydrate IUPAC Name: 2-(5-nitrofuran-2-yl)-1H-benzimidazole hydrate Traditional Name: 2-(5-nitro-2-furyl)-1H-benzimidazole hydrate Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(O3)[N+](=O)[O-].O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(O3)[N+](=O)[O-].O

InChI

InChI=1S/C11H7N3O3.H2O/c15-14(16)10-6-5-9(17-10)11-12-7-3-1-2-4-8(7)13-11;/h1-6H,(H,12,13);1H2