5-methoxy-2-(3-morpholin-4-ylpropyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-methoxy-2-(3-morpholin-4-ylpropyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 5-methoxy-2-(3-morpholinopropyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 5-methoxy-2-[3-(4-morpholinyl)propyl]-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 5-methoxy-2-(3-morpholin-4-ylpropyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 5-methoxy-2-(3-morpholinopropyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H20N4O8 MolecularWeight: 444.3948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCN4CCOCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCN4CCOCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O8/c1-31-15-11-13-16-12(3-4-14(23(27)28)17(16)18(15)24(29)30)19(25)22(20(13)26)6-2-5-21-7-9-32-10-8-21/h3-4,11H,2,5-10H2,1H3