3-(3,5-dimethylpiperidin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 3-(3,5-dimethylpiperidin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(3,5-dimethyl-1-piperidyl)propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(3,5-dimethyl-1-piperidinyl)-1-propanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(3,5-dimethylpiperidino)propan-1-one Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N2O5/c1-10-5-11(2)9-17(8-10)4-3-14(19)12-6-13(18(22)23)16(21)15(20)7-12/h6-7,10-11,20-21H,3-5,8-9H2,1-2H3