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

Systemtic Name: O3-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl] ester O1-methyl ester IUPAC Name: 3-O-[[2-(5-bromo-2-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-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl] ester O1-methyl ester Formula: C20H15BrN2O7S MolecularWeight: 507.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O7S/c1-28-17-4-3-13(21)8-16(17)18-22-14(10-31-18)9-30-20(25)12-5-11(19(24)29-2)6-15(7-12)23(26)27/h3-8,10H,9H2,1-2H3