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

Systemtic Name: 3-(4-ethylpiperazin-1-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-ethylpiperazino)propan-1-one Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c1-2-16-5-7-17(8-6-16)4-3-13(19)11-9-12(18(22)23)15(21)14(20)10-11/h9-10,20-21H,2-8H2,1H3