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

Systemtic Name: N-[(2S)-2-ethylhexyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(2S)-2-ethylhexyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(2S)-2-ethylhexyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(2S)-2-ethylhexyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[(2S)-2-ethylhexyl]acetamide Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5/c1-3-5-7-12(4-2)10-19-15(22)11-20-17(23)13-8-6-9-14(21(25)26)16(13)18(20)24/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,19,22)/t12-/m0/s1