N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-methoxy-5-nitro-benzamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-methoxy-5-nitro-benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-methoxy-5-nitrobenzamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-methoxy-5-nitrobenzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-methoxy-5-nitro-benzamide Formula: C12H14N2O6S MolecularWeight: 314.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C12H14N2O6S/c1-20-11-3-2-9(14(16)17)6-10(11)12(15)13-8-4-5-21(18,19)7-8/h2-3,6,8H,4-5,7H2,1H3,(H,13,15)