O1-ethyl O3-[2-oxidanylidene-2-(4-sulfamoylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-(4-sulfamoylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-oxo-2-(4-sulfamoylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-(4-sulfamoylphenyl)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-(4-sulfamoylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(4-sulfamoylphenyl)ethyl] ester Formula: C18H16N2O9S MolecularWeight: 436.39264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O9S/c1-2-28-17(22)12-7-13(9-14(8-12)20(24)25)18(23)29-10-16(21)11-3-5-15(6-4-11)30(19,26)27/h3-9H,2,10H2,1H3,(H2,19,26,27)