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

Systemtic Name: O3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[4-(4-fluorophenyl)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-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[4-(4-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-fluorophenyl)piperazino]-2-keto-ethyl] ester O1-methyl ester Formula: C21H20FN3O7 MolecularWeight: 445.397803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O7/c1-31-20(27)14-10-15(12-18(11-14)25(29)30)21(28)32-13-19(26)24-8-6-23(7-9-24)17-4-2-16(22)3-5-17/h2-5,10-12H,6-9,13H2,1H3