N-[1,1-bis(oxidanylidene)thian-4-yl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: 2-chloro-N-(1,1-dioxothian-4-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(1,1-dioxo-4-thianyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(1,1-dioxothian-4-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(1,1-diketothian-4-yl)-5-nitro-benzamide Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CS(=O)(=O)CCC1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O5S/c13-11-2-1-9(15(17)18)7-10(11)12(16)14-8-3-5-21(19,20)6-4-8/h1-2,7-8H,3-6H2,(H,14,16)