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

Systemtic Name: O3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester O1-methyl ester Formula: C19H17FN2O7 MolecularWeight: 404.345883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C19H17FN2O7/c1-28-18(24)13-8-14(10-16(9-13)22(26)27)19(25)29-11-17(23)21-7-6-12-2-4-15(20)5-3-12/h2-5,8-10H,6-7,11H2,1H3,(H,21,23)