2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[2-(4-methyl-1-piperazinyl)phenyl]ethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[2-(4-methylpiperazino)phenyl]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2CCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2CCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-22-10-12-23(13-11-22)19-5-3-2-4-15(19)8-9-24-20(26)17-7-6-16(25(28)29)14-18(17)21(24)27/h2-7,14H,8-13H2,1H3