5-nitro-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H16N6O5 MolecularWeight: 396.35684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O5/c25-15(21-6-8-22(9-7-21)18-19-4-1-5-20-18)11-23-16(26)13-3-2-12(24(28)29)10-14(13)17(23)27/h1-5,10H,6-9,11H2