4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzamide

Systemtic Name: 4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzamide Openeye Name: 4-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzamide CAS Name: 4-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzamide IUPAC Name: 4-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzamide Traditional Name: 4-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]benzamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H20N4O6/c22-19(27)13-8-10-14(11-9-13)23-17(26)7-2-1-3-12-24-20(28)15-5-4-6-16(25(30)31)18(15)21(24)29/h4-6,8-11H,1-3,7,12H2,(H2,22,27)(H,23,26)