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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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