N-[[1-(dimethylamino)cycloheptyl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C20H31N3O6 MolecularWeight: 409.47664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C20H31N3O6/c1-22(2)20(10-8-6-7-9-11-20)13-21-19(24)14-12-15(27-3)17(28-4)18(29-5)16(14)23(25)26/h12H,6-11,13H2,1-5H3,(H,21,24)