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

Systemtic Name: 2-(3,5-dimethylpiperidin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(3,5-dimethyl-1-piperidyl)ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(3,5-dimethyl-1-piperidinyl)ethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(3,5-dimethylpiperidino)ethanone Formula: C15H20N2O5 MolecularWeight: 308.3297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-9-3-10(2)7-16(6-9)8-14(19)11-4-12(17(21)22)15(20)13(18)5-11/h4-5,9-10,18,20H,3,6-8H2,1-2H3