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

Systemtic Name: O1-ethyl O3-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(4-methylsulfanylphenyl)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C19H17NO7S MolecularWeight: 403.40578

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO7S/c1-3-26-18(22)13-8-14(10-15(9-13)20(24)25)19(23)27-11-17(21)12-4-6-16(28-2)7-5-12/h4-10H,3,11H2,1-2H3