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

Systemtic Name: 2-chloranyl-N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-(3-methyl-1,1-dioxo-thiolan-3-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(3-methyl-1,1-dioxo-3-thiolanyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(1,1-diketo-3-methyl-thiolan-3-yl)-5-nitro-benzamide Formula: C12H13ClN2O5S MolecularWeight: 332.76002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O5S/c1-12(4-5-21(19,20)7-12)14-11(16)9-6-8(15(17)18)2-3-10(9)13/h2-3,6H,4-5,7H2,1H3,(H,14,16)