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

Systemtic Name: O3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[[2-(4-fluorophenyl)thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(4-fluorophenyl)-4-thiazolyl]methyl] ester O1-methyl ester IUPAC Name: 3-O-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(4-fluorophenyl)thiazol-4-yl]methyl] ester O1-methyl ester Formula: C19H13FN2O6S MolecularWeight: 416.379723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H13FN2O6S/c1-27-18(23)12-6-13(8-16(7-12)22(25)26)19(24)28-9-15-10-29-17(21-15)11-2-4-14(20)5-3-11/h2-8,10H,9H2,1H3