2-[(2R)-3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R)-3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-[(4-hydroxy-3-nitro-phenyl)methyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-3-(4-hydroxy-3-nitrophenyl)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-3-(4-hydroxy-3-nitrophenyl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-(4-hydroxy-3-nitro-benzyl)-2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C25H22N6O6 MolecularWeight: 502.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(CC3=CC(=C(C=C3)O)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H](CC3=CC(=C(C=C3)O)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H22N6O6/c32-21-7-6-16(14-19(21)31(36)37)15-20(30-22(33)17-4-1-2-5-18(17)23(30)34)24(35)28-10-12-29(13-11-28)25-26-8-3-9-27-25/h1-9,14,20,32H,10-13,15H2/t20-/m1/s1