4,5-dimethoxy-2-nitro-N-(2-oxidanylidenethiolan-3-yl)benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-(2-oxidanylidenethiolan-3-yl)benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-(2-oxo-3-thiolanyl)benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-(2-oxothiolan-3-yl)benzamide Traditional Name: N-(2-ketotetrahydrothiophen-3-yl)-4,5-dimethoxy-2-nitro-benzamide Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2CCSC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2CCSC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C13H14N2O6S/c1-20-10-5-7(9(15(18)19)6-11(10)21-2)12(16)14-8-3-4-22-13(8)17/h5-6,8H,3-4H2,1-2H3,(H,14,16)