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

Systemtic Name: O1-methyl O3-[(2-phenyl-1,3-thiazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(2-phenylthiazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(2-phenyl-4-thiazolyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(2-phenyl-1,3-thiazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(2-phenylthiazol-4-yl)methyl] ester Formula: C19H14N2O6S MolecularWeight: 398.38926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O6S/c1-26-18(22)13-7-14(9-16(8-13)21(24)25)19(23)27-10-15-11-28-17(20-15)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3