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

Systemtic Name: 2-(4-ethylphenyl)-5-morpholin-4-yl-6-nitro-isoindole-1,3-dione Openeye Name: 2-(4-ethylphenyl)-5-morpholino-6-nitro-isoindoline-1,3-dione CAS Name: 2-(4-ethylphenyl)-5-(4-morpholinyl)-6-nitroisoindole-1,3-dione IUPAC Name: 2-(4-ethylphenyl)-5-morpholin-4-yl-6-nitroisoindole-1,3-dione Traditional Name: 2-(4-ethylphenyl)-5-morpholino-6-nitro-isoindoline-1,3-quinone Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-2-13-3-5-14(6-4-13)22-19(24)15-11-17(21-7-9-28-10-8-21)18(23(26)27)12-16(15)20(22)25/h3-6,11-12H,2,7-10H2,1H3