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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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