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

Systemtic Name: O1-methyl O3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[[2-(p-tolyl)thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[2-(4-methylphenyl)-4-thiazolyl]methyl] ester IUPAC Name: 1-O-methyl 3-O-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[2-(p-tolyl)thiazol-4-yl]methyl] ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S/c1-12-3-5-13(6-4-12)18-21-16(11-29-18)10-28-20(24)15-7-14(19(23)27-2)8-17(9-15)22(25)26/h3-9,11H,10H2,1-2H3