2-(3-methylphenyl)-6-morpholin-4-yl-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3-methylphenyl)-6-morpholin-4-yl-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-morpholino-2-(m-tolyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3-methylphenyl)-6-(4-morpholinyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-methylphenyl)-6-morpholin-4-yl-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-morpholino-2-(m-tolyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N5CCOCC5)[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N5CCOCC5)[N+](=O)[O-])C2=O

InChI

InChI=1S/C23H19N3O5/c1-14-4-2-5-15(12-14)25-22(27)17-7-3-6-16-20(17)18(23(25)28)13-19(26(29)30)21(16)24-8-10-31-11-9-24/h2-7,12-13H,8-11H2,1H3