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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[2-methyl-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-[2-methyl-4-(4-methylpiperazino)phenyl]acetamide Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-14-12-15(25-10-8-24(2)9-11-25)6-7-17(14)23-19(28)13-26-21(29)16-4-3-5-18(27(31)32)20(16)22(26)30/h3-7,12H,8-11,13H2,1-2H3,(H,23,28)