2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCCC1CC(C2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

Isomeric SMILES

CN1C2CCCC1CC(C2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

InChI

InChI=1S/C21H21N3O4/c1-22-12-4-2-5-13(22)11-14(10-12)23-20(25)16-7-3-6-15-18(24(27)28)9-8-17(19(15)16)21(23)26/h3,6-9,12-14H,2,4-5,10-11H2,1H3