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

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[2-nitro-3,4-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(3,4-dihydroxy-2-nitrophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(3,4-dihydroxy-2-nitro-phenyl)-3-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)C3=C(C(=C(C=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)C3=C(C(=C(C=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-29-15-4-2-14(3-5-15)22-12-10-21(11-13-22)9-8-17(24)16-6-7-18(25)20(26)19(16)23(27)28/h2-7,25-26H,8-13H2,1H3