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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-12(24-20(27)16-3-2-4-17(25(29)30)18(16)21(24)28)19(26)23-11-22-8-13-5-14(9-22)7-15(6-13)10-22/h2-4,12-15H,5-11H2,1H3,(H,23,26)/t12-,13?,14?,15?,22?/m0/s1