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

Systemtic Name: O1-methyl O3-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(4-methylsulfanylphenyl)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[4-(methylthio)phenyl]ethyl] ester O1-methyl ester Formula: C18H15NO7S MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO7S/c1-25-17(21)12-7-13(9-14(8-12)19(23)24)18(22)26-10-16(20)11-3-5-15(27-2)6-4-11/h3-9H,10H2,1-2H3