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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6/c1-3-23(4-2)19(27)13-7-5-8-14(11-13)22-17(26)12-24-20(28)15-9-6-10-16(25(30)31)18(15)21(24)29/h5-11H,3-4,12H2,1-2H3,(H,22,26)