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

Systemtic Name: 4-azanyl-N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-benzamide Openeye Name: 4-amino-N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-benzamide CAS Name: 4-amino-N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-2-methoxy-5-nitrobenzamide IUPAC Name: 4-amino-N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitrobenzamide Traditional Name: 4-amino-N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-5-nitro-benzamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-])N

InChI

InChI=1S/C21H30N4O4/c1-29-19-11-17(22)18(25(27)28)10-16(19)21(26)23-15-8-9-24(12-15)20-13-4-2-5-14(20)7-3-6-13/h10-11,13-15,20H,2-9,12,22H2,1H3,(H,23,26)