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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6/c26-16(10-24-18(27)14-2-1-3-15(25(30)31)17(14)19(24)28)22-20(29)23-21-7-11-4-12(8-21)6-13(5-11)9-21/h1-3,11-13H,4-10H2,(H2,22,23,26,29)