methyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: methyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylacetate CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]thio]acetic acid methyl ester Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CSC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13NO6S/c1-17-12(14)6-20-11(5-13(15)16)8-2-3-9-10(4-8)19-7-18-9/h2-4,11H,5-7H2,1H3