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

Systemtic Name: 2-(4-methylpiperidin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone hydrochloride Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-methyl-1-piperidyl)ethanone hydrochloride CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-methyl-1-piperidinyl)ethanone hydrochloride IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-methylpiperidin-1-yl)ethanone hydrochloride Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-methylpiperidino)ethanone hydrochloride Formula: C14H19ClN2O5 MolecularWeight: 330.76406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CC1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H18N2O5.ClH/c1-9-2-4-15(5-3-9)8-13(18)10-6-11(16(20)21)14(19)12(17)7-10;/h6-7,9,17,19H,2-5,8H2,1H3;1H