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

Systemtic Name: O1-ethyl O3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl] ester IUPAC Name: 1-O-ethyl 3-O-[[2-(4-methoxyphenyl)-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-methoxyphenyl)thiazol-4-yl]methyl] ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7S/c1-3-29-20(24)14-8-15(10-17(9-14)23(26)27)21(25)30-11-16-12-31-19(22-16)13-4-6-18(28-2)7-5-13/h4-10,12H,3,11H2,1-2H3