N-(1-adamantylmethyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1-adamantylmethyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1-adamantylmethyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c25-18(22-11-21-7-12-3-13(8-21)5-14(4-12)9-21)10-23-19(26)16-2-1-15(24(28)29)6-17(16)20(23)27/h1-2,6,12-14H,3-5,7-11H2,(H,22,25)