2-methyl-3-nitro-N-(2-oxidanylidenethiolan-3-yl)benzamide

Systemtic Name: 2-methyl-3-nitro-N-(2-oxidanylidenethiolan-3-yl)benzamide Openeye Name: 2-methyl-3-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide CAS Name: 2-methyl-3-nitro-N-(2-oxo-3-thiolanyl)benzamide IUPAC Name: 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide Traditional Name: N-(2-ketotetrahydrothiophen-3-yl)-2-methyl-3-nitro-benzamide Formula: C12H12N2O4S MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2CCSC2=O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2CCSC2=O

InChI

InChI=1S/C12H12N2O4S/c1-7-8(3-2-4-10(7)14(17)18)11(15)13-9-5-6-19-12(9)16/h2-4,9H,5-6H2,1H3,(H,13,15)