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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(4-morpholinophenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-morpholinophenyl)propionamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-13(24-20(27)16-3-2-4-17(25(29)30)18(16)21(24)28)19(26)22-14-5-7-15(8-6-14)23-9-11-31-12-10-23/h2-8,13H,9-12H2,1H3,(H,22,26)