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

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(1-morpholinocyclohexyl)methyl]-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-[(1-morpholinocyclohexyl)methyl]acetamide Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H26N4O6/c26-18(22-14-21(6-2-1-3-7-21)23-8-10-31-11-9-23)13-24-19(27)16-5-4-15(25(29)30)12-17(16)20(24)28/h4-5,12H,1-3,6-11,13-14H2,(H,22,26)