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

Systemtic Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-nitro-2,4-dipropoxy-benzamide Openeye Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-nitro-2,4-dipropoxy-benzamide CAS Name: N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-5-nitro-2,4-dipropoxybenzamide IUPAC Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-nitro-2,4-dipropoxybenzamide Traditional Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-nitro-2,4-dipropoxy-benzamide Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-])OCCC

InChI

InChI=1S/C26H39N3O5/c1-3-13-33-23-16-24(34-14-4-2)22(29(31)32)15-21(23)26(30)27-20-11-12-28(17-20)25-18-7-5-8-19(25)10-6-9-18/h15-16,18-20,25H,3-14,17H2,1-2H3,(H,27,30)