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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6/c1-21(2,3)23-18(27)12-5-4-6-13(9-12)22-17(26)11-24-19(28)15-8-7-14(25(30)31)10-16(15)20(24)29/h4-10H,11H2,1-3H3,(H,22,26)(H,23,27)