O3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester O1-methyl ester Formula: C23H22FN3O8 MolecularWeight: 487.434483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN3O8/c1-14(28)15-3-4-20(19(24)12-15)25-5-7-26(8-6-25)21(29)13-35-23(31)17-9-16(22(30)34-2)10-18(11-17)27(32)33/h3-4,9-12H,5-8,13H2,1-2H3