N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-nitrophenyl)-1,3-benzoxazole-4-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-nitrophenyl)-1,3-benzoxazole-4-carboxamide Openeye Name: 2-(4-nitrophenyl)-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-nitrophenyl)-1,3-benzoxazole-4-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-nitrophenyl)-1,3-benzoxazole-4-carboxamide Traditional Name: 2-(4-nitrophenyl)-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=C4C(=CC=C3)OC(=N4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=C4C(=CC=C3)OC(=N4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4/c26-20(22-17-12-24-10-8-13(17)9-11-24)16-2-1-3-18-19(16)23-21(29-18)14-4-6-15(7-5-14)25(27)28/h1-7,13,17H,8-12H2,(H,22,26)