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

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-chloro-4-nitrophenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C16H16ClN5O4 MolecularWeight: 377.78234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN5O4/c17-13-10-12(22(24)25)2-3-14(13)26-11-15(23)20-6-8-21(9-7-20)16-18-4-1-5-19-16/h1-5,10H,6-9,11H2