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

Systemtic Name: N-heptan-2-yl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1-methylhexyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-heptan-2-yl-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-heptan-2-yl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(1-methylhexyl)acetamide Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-3-4-5-7-11(2)18-14(21)10-19-16(22)12-8-6-9-13(20(24)25)15(12)17(19)23/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,18,21)