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

Systemtic Name: 2-(2,6-diethylphenyl)-5-morpholin-4-yl-6-nitro-isoindole-1,3-dione Openeye Name: 2-(2,6-diethylphenyl)-5-morpholino-6-nitro-isoindoline-1,3-dione CAS Name: 2-(2,6-diethylphenyl)-5-(4-morpholinyl)-6-nitroisoindole-1,3-dione IUPAC Name: 2-(2,6-diethylphenyl)-5-morpholin-4-yl-6-nitroisoindole-1,3-dione Traditional Name: 2-(2,6-diethylphenyl)-5-morpholino-6-nitro-isoindoline-1,3-quinone Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H23N3O5/c1-3-14-6-5-7-15(4-2)20(14)24-21(26)16-12-18(23-8-10-30-11-9-23)19(25(28)29)13-17(16)22(24)27/h5-7,12-13H,3-4,8-11H2,1-2H3