1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C21H22FN3O6 MolecularWeight: 431.414283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])OC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])OC)F

InChI

InChI=1S/C21H22FN3O6/c1-14(26)15-3-5-18(17(22)11-15)23-7-9-24(10-8-23)21(27)13-31-20-12-16(25(28)29)4-6-19(20)30-2/h3-6,11-12H,7-10,13H2,1-2H3