2-(3,5-dimethoxyphenyl)-5-morpholin-4-yl-6-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3,5-dimethoxyphenyl)-5-morpholin-4-yl-6-nitro-isoindole-1,3-dione Openeye Name: 2-(3,5-dimethoxyphenyl)-5-morpholino-6-nitro-isoindoline-1,3-dione CAS Name: 2-(3,5-dimethoxyphenyl)-5-(4-morpholinyl)-6-nitroisoindole-1,3-dione IUPAC Name: 2-(3,5-dimethoxyphenyl)-5-morpholin-4-yl-6-nitroisoindole-1,3-dione Traditional Name: 2-(3,5-dimethoxyphenyl)-5-morpholino-6-nitro-isoindoline-1,3-quinone Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCOCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCOCC4)OC

InChI

InChI=1S/C20H19N3O7/c1-28-13-7-12(8-14(9-13)29-2)22-19(24)15-10-17(21-3-5-30-6-4-21)18(23(26)27)11-16(15)20(22)25/h7-11H,3-6H2,1-2H3