N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-(4-methyl-1-piperazinyl)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[4-(4-methylpiperazino)phenyl]acetamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-23-9-11-24(12-10-23)15-7-5-14(6-8-15)22-18(27)13-25-20(28)16-3-2-4-17(26(30)31)19(16)21(25)29/h2-8H,9-13H2,1H3,(H,22,27)