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

Systemtic Name: N-(1-adamantyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1-adamantyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1-adamantyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1-adamantyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-16(21-20-7-11-4-12(8-20)6-13(5-11)9-20)10-22-18(25)14-2-1-3-15(23(27)28)17(14)19(22)26/h1-3,11-13H,4-10H2,(H,21,24)