2-(2-methoxy-5-nitro-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-methoxy-5-nitro-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-methoxy-5-nitro-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-methoxy-5-nitrophenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-methoxy-5-nitrophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-methoxy-5-nitro-phenoxy)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H19N5O5/c1-26-14-4-3-13(22(24)25)11-15(14)27-12-16(23)20-7-9-21(10-8-20)17-18-5-2-6-19-17/h2-6,11H,7-10,12H2,1H3