O3-[2-(4-chlorophenyl)sulfanylethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(4-chlorophenyl)sulfanylethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-chlorophenyl)sulfanylethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-chlorophenyl)thio]ethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(4-chlorophenyl)sulfanylethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-chlorophenyl)thio]ethyl] ester O1-methyl ester Formula: C17H14ClNO6S MolecularWeight: 395.81416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H14ClNO6S/c1-24-16(20)11-8-12(10-14(9-11)19(22)23)17(21)25-6-7-26-15-4-2-13(18)3-5-15/h2-5,8-10H,6-7H2,1H3