2-methoxy-5-nitro-N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

Systemtic Name: 2-methoxy-5-nitro-N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide Openeye Name: N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxy-5-nitro-benzamide CAS Name: 2-methoxy-5-nitro-N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide IUPAC Name: N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxy-5-nitrobenzamide Traditional Name: N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-methoxy-5-nitro-benzamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4/c1-30-22-11-10-20(26(28)29)14-21(22)23(27)24-17-12-18-8-5-9-19(13-17)25(18)15-16-6-3-2-4-7-16/h2-4,6-7,10-11,14,17-19H,5,8-9,12-13,15H2,1H3,(H,24,27)