2-(3-chloranylphenoxy)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3-chlorophenoxy)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-(3-chlorophenoxy)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-chlorophenoxy)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3-chlorophenoxy)-1-[4-(6-nitro-3-pyridyl)piperazino]ethanone Formula: C17H17ClN4O4 MolecularWeight: 376.79428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H17ClN4O4/c18-13-2-1-3-15(10-13)26-12-17(23)21-8-6-20(7-9-21)14-4-5-16(19-11-14)22(24)25/h1-5,10-11H,6-9,12H2