1-[4-(3-nitrophenyl)piperazin-1-yl]-2-(3-oxidanylphenoxy)ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)piperazin-1-yl]-2-(3-oxidanylphenoxy)ethanone Openeye Name: 2-(3-hydroxyphenoxy)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(3-hydroxyphenoxy)-1-[4-(3-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxyphenoxy)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxyphenoxy)-1-[4-(3-nitrophenyl)piperazino]ethanone Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c22-16-5-2-6-17(12-16)26-13-18(23)20-9-7-19(8-10-20)14-3-1-4-15(11-14)21(24)25/h1-6,11-12,22H,7-10,13H2