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

Systemtic Name: [1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [1-(1,3-benzodioxol-5-yl)-2-nitroethyl] ester IUPAC Name: [1-(1,3-benzodioxol-5-yl)-2-nitroethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl] ester Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(C)C(=S)SC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14N2O4S2/c1-13(2)12(19)20-11(6-14(15)16)8-3-4-9-10(5-8)18-7-17-9/h3-5,11H,6-7H2,1-2H3