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

Systemtic Name: 2-(3-methylpiperidin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(3-methyl-1-piperidyl)ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(3-methylpiperidin-1-yl)ethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(3-methylpiperidino)ethanone Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5/c1-9-3-2-4-15(7-9)8-13(18)10-5-11(16(20)21)14(19)12(17)6-10/h5-6,9,17,19H,2-4,7-8H2,1H3