N-(4-morpholin-4-ylphenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(4-morpholinophenyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(4-morpholinophenyl)acetamide Formula: C20H18N4O6 MolecularWeight: 410.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c25-18(21-13-1-3-14(4-2-13)22-7-9-30-10-8-22)12-23-19(26)16-6-5-15(24(28)29)11-17(16)20(23)27/h1-6,11H,7-10,12H2,(H,21,25)