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

Systemtic Name: O3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl] ester O1-methyl ester IUPAC Name: 3-O-[[2-(4-methoxyphenyl)-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-methoxyphenyl)thiazol-4-yl]methyl] ester O1-methyl ester Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7S/c1-27-17-5-3-12(4-6-17)18-21-15(11-30-18)10-29-20(24)14-7-13(19(23)28-2)8-16(9-14)22(25)26/h3-9,11H,10H2,1-2H3