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

Systemtic Name: O1-methyl O3-[(4-methylsulfanylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(4-methylsulfanylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[4-(methylthio)phenyl]methyl] ester IUPAC Name: 1-O-methyl 3-O-[(4-methylsulfanylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[4-(methylthio)benzyl] ester Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H15NO6S/c1-23-16(19)12-7-13(9-14(8-12)18(21)22)17(20)24-10-11-3-5-15(25-2)6-4-11/h3-9H,10H2,1-2H3