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

Systemtic Name: O1-ethyl O3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H22FN3O7 MolecularWeight: 459.424383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O7/c1-2-32-21(28)15-11-16(13-19(12-15)26(30)31)22(29)33-14-20(27)25-9-7-24(8-10-25)18-5-3-17(23)4-6-18/h3-6,11-13H,2,7-10,14H2,1H3