1-[3-nitro-4-(3-oxidanylpiperidin-1-yl)phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(3-oxidanylpiperidin-1-yl)phenyl]ethanone Openeye Name: 1-[4-(3-hydroxy-1-piperidyl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(3-hydroxy-1-piperidinyl)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(3-hydroxypiperidin-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(3-hydroxypiperidino)-3-nitro-phenyl]ethanone Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCC(C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCC(C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-9(16)10-4-5-12(13(7-10)15(18)19)14-6-2-3-11(17)8-14/h4-5,7,11,17H,2-3,6,8H2,1H3