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

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6S/c1-2-18-13(15)7-21-12(6-14(16)17)9-3-4-10-11(5-9)20-8-19-10/h3-5,12H,2,6-8H2,1H3