N-(2-methylpropyl)-3-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzamide

Systemtic Name: N-(2-methylpropyl)-3-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzamide Openeye Name: N-isobutyl-3-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzamide CAS Name: N-(2-methylpropyl)-3-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-methylpropyl)-3-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide Traditional Name: 3-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-N-isobutyl-benzamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-12(2)10-22-19(27)13-4-3-5-14(8-13)23-18(26)11-24-20(28)16-7-6-15(25(30)31)9-17(16)21(24)29/h3-9,12H,10-11H2,1-2H3,(H,22,27)(H,23,26)