N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-7-nitro-1H-benzimidazole-4-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-7-nitro-1H-benzimidazole-4-carboxamide Openeye Name: 6-chloro-7-nitro-N-quinuclidin-3-yl-1H-benzimidazole-4-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-nitro-1H-benzimidazole-4-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-nitro-1H-benzimidazole-4-carboxamide Traditional Name: 6-chloro-7-nitro-N-quinuclidin-3-yl-1H-benzimidazole-4-carboxamide Formula: C15H16ClN5O3 MolecularWeight: 349.77224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)