methyl 3-(2-methylsulfanylphenyl)-4-nitro-butanoate

Systemtic Name: methyl 3-(2-methylsulfanylphenyl)-4-nitro-butanoate Openeye Name: methyl 3-(2-methylsulfanylphenyl)-4-nitro-butanoate CAS Name: 3-[2-(methylthio)phenyl]-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylphenyl)-4-nitrobutanoate Traditional Name: 3-[2-(methylthio)phenyl]-4-nitro-butyric acid methyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C[N+](=O)[O-])C1=CC=CC=C1SC

Isomeric SMILES

COC(=O)CC(C[N+](=O)[O-])C1=CC=CC=C1SC

InChI

InChI=1S/C12H15NO4S/c1-17-12(14)7-9(8-13(15)16)10-5-3-4-6-11(10)18-2/h3-6,9H,7-8H2,1-2H3