N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-nitro-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-3-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-3-nitro-benzamide Formula: C12H14N2O5S MolecularWeight: 298.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c1-13(11-5-6-20(18,19)8-11)12(15)9-3-2-4-10(7-9)14(16)17/h2-4,7,11H,5-6,8H2,1H3/t11-/m0/s1