3-(3,5-dimethylpiperidin-1-yl)-1-[2-nitro-3,4-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 3-(3,5-dimethylpiperidin-1-yl)-1-[2-nitro-3,4-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-(3,5-dimethyl-1-piperidyl)propan-1-one CAS Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-(3,5-dimethyl-1-piperidinyl)-1-propanone IUPAC Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-one Traditional Name: 1-(3,4-dihydroxy-2-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=C(C(=C(C=C2)O)O)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-10-7-11(2)9-17(8-10)6-5-13(19)12-3-4-14(20)16(21)15(12)18(22)23/h3-4,10-11,20-21H,5-9H2,1-2H3