1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-piperidin-1-yl-ethanone hydrochloride

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-piperidin-1-yl-ethanone hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(1-piperidyl)ethanone hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(1-piperidinyl)ethanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-piperidin-1-ylethanone hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-piperidino-ethanone hydrochloride Formula: C13H17ClN2O5 MolecularWeight: 316.73748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N2O5.ClH/c16-11-7-9(6-10(13(11)18)15(19)20)12(17)8-14-4-2-1-3-5-14;/h6-7,16,18H,1-5,8H2;1H