[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [1-(3,4-dimethoxyphenyl)-2-nitro-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [1-(3,4-dimethoxyphenyl)-2-nitro-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [1-(3,4-dimethoxyphenyl)-2-nitroethyl] ester IUPAC Name: [1-(3,4-dimethoxyphenyl)-2-nitroethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [1-(3,4-dimethoxyphenyl)-2-nitro-ethyl] ester Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SC(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CN(C)C(=S)SC(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C13H18N2O4S2/c1-14(2)13(20)21-12(8-15(16)17)9-5-6-10(18-3)11(7-9)19-4/h5-7,12H,8H2,1-4H3