N-[1-(1-adamantyl)ethyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-12(22-8-13-5-14(9-22)7-15(6-13)10-22)23-18(26)11-24-20(27)16-3-2-4-17(25(29)30)19(16)21(24)28/h2-4,12-15H,5-11H2,1H3,(H,23,26)