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

Systemtic Name: O1-ethyl O3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[[2-(4-fluorophenyl)thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[[2-(4-fluorophenyl)-4-thiazolyl]methyl] ester IUPAC Name: 1-O-ethyl 3-O-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[[2-(4-fluorophenyl)thiazol-4-yl]methyl] ester Formula: C20H15FN2O6S MolecularWeight: 430.406303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN2O6S/c1-2-28-19(24)13-7-14(9-17(8-13)23(26)27)20(25)29-10-16-11-30-18(22-16)12-3-5-15(21)6-4-12/h3-9,11H,2,10H2,1H3