2-[[3-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)oxy-4-nitro-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)oxy-4-nitro-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(1-methyl-2-morpholino-2-oxo-ethoxy)-4-nitro-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[1-(4-morpholinyl)-1-oxopropan-2-yl]oxy-4-nitrophenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-nitrophenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(2-keto-1-methyl-2-morpholino-ethoxy)-4-nitro-benzyl]isoindoline-1,3-quinone Formula: C22H21N3O7 MolecularWeight: 439.41804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7/c1-14(20(26)23-8-10-31-11-9-23)32-19-12-15(6-7-18(19)25(29)30)13-24-21(27)16-4-2-3-5-17(16)22(24)28/h2-7,12,14H,8-11,13H2,1H3