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

Systemtic Name: O1-methyl O3-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(3-methylsulfanylanilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(3-methylsulfanylanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[3-(methylthio)anilino]ethyl] ester O1-methyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H16N2O7S/c1-26-17(22)11-6-12(8-14(7-11)20(24)25)18(23)27-10-16(21)19-13-4-3-5-15(9-13)28-2/h3-9H,10H2,1-2H3,(H,19,21)