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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanamine Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanamine CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]thio]ethanamine IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]sulfanylethanamine Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]thio]ethylamine Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCCN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCCN

InChI

InChI=1S/C11H14N2O4S/c12-3-4-18-11(6-13(14)15)8-1-2-9-10(5-8)17-7-16-9/h1-2,5,11H,3-4,6-7,12H2