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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c26-18(23-12-22-9-13-6-14(10-22)8-15(7-13)11-22)4-5-24-20(27)16-2-1-3-17(25(29)30)19(16)21(24)28/h1-3,13-15H,4-12H2,(H,23,26)