2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-[4-(2-methoxyphenyl)piperazino]propan-1-one Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H23N3O6/c1-13(19(25)14-11-16(23(27)28)20(26)17(24)12-14)21-7-9-22(10-8-21)15-5-3-4-6-18(15)29-2/h3-6,11-13,24,26H,7-10H2,1-2H3