N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-5-nitro-benzamide

Systemtic Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-5-nitro-benzamide Openeye Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-5-nitro-benzamide CAS Name: N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-2-methoxy-4-methyl-5-nitrobenzamide IUPAC Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-5-nitrobenzamide Traditional Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methyl-5-nitro-benzamide Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O4/c1-14-11-20(29-2)18(12-19(14)25(27)28)22(26)23-17-9-10-24(13-17)21-15-5-3-6-16(21)8-4-7-15/h11-12,15-17,21H,3-10,13H2,1-2H3,(H,23,26)