methyl 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: methyl 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylacetate CAS Name: 2-[[1-(4-methoxyphenyl)-2-nitroethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[1-(4-methoxyphenyl)-2-nitro-ethyl]thio]acetic acid methyl ester Formula: C12H15NO5S MolecularWeight: 285.3162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+](=O)[O-])SCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C[N+](=O)[O-])SCC(=O)OC

InChI

InChI=1S/C12H15NO5S/c1-17-10-5-3-9(4-6-10)11(7-13(15)16)19-8-12(14)18-2/h3-6,11H,7-8H2,1-2H3