N-(3-ethyl-1H-benzimidazol-3-ium-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide

Systemtic Name: N-(3-ethyl-1H-benzimidazol-3-ium-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide Openeye Name: N-(3-ethyl-1H-benzimidazol-3-ium-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide CAS Name: N-(3-ethyl-1H-benzimidazol-3-ium-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide IUPAC Name: N-(3-ethyl-1H-benzimidazol-3-ium-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide Traditional Name: N-(3-ethyl-1H-benzimidazol-3-ium-2-yl)-5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furamide Formula: C22H21N4O5+ MolecularWeight: 421.42594

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=CC=CC=C21)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC[N+]1=C(NC2=CC=CC=C21)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5/c1-3-25-17-7-5-4-6-16(17)23-22(25)24-21(27)20-11-9-15(31-20)13-30-19-10-8-14(2)12-18(19)26(28)29/h4-12H,3,13H2,1-2H3,(H,23,24,27)/p+1