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

Systemtic Name: 4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzamide Openeye Name: 4-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzamide CAS Name: 4-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide Traditional Name: 4-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]benzamide Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O6/c1-9(16(24)20-11-7-5-10(6-8-11)15(19)23)21-17(25)12-3-2-4-13(22(27)28)14(12)18(21)26/h2-9H,1H3,(H2,19,23)(H,20,24)