2-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-keto-3-(4-methylpiperazino)propyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-17-7-9-18(10-8-17)13(21)5-6-19-15(22)11-3-2-4-12(20(24)25)14(11)16(19)23/h2-4H,5-10H2,1H3