N-[2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]ethyl]benzamide

Systemtic Name: N-[2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]ethyl]benzamide Openeye Name: N-[2-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]ethyl]benzamide CAS Name: N-[2-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]ethyl]benzamide IUPAC Name: N-[2-[2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide Traditional Name: N-[2-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]ethyl]benzamide Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCNC(=O)C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCNC(=O)C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-12(17(25)21-10-11-22-18(26)13-6-3-2-4-7-13)23-19(27)14-8-5-9-15(24(29)30)16(14)20(23)28/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,26)