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

Systemtic Name: 2-(4-methylpiperazin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-methylpiperazin-1-yl)ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-(4-methylpiperazin-1-yl)ethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-(4-methylpiperazino)ethanone Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-14-2-4-15(5-3-14)8-12(18)9-6-10(16(20)21)13(19)11(17)7-9/h6-7,17,19H,2-5,8H2,1H3