2-(2,4-dinitrophenyl)-N-(2-oxidanylidenethiolan-3-yl)ethanamide

Systemtic Name: 2-(2,4-dinitrophenyl)-N-(2-oxidanylidenethiolan-3-yl)ethanamide Openeye Name: 2-(2,4-dinitrophenyl)-N-(2-oxotetrahydrothiophen-3-yl)acetamide CAS Name: 2-(2,4-dinitrophenyl)-N-(2-oxo-3-thiolanyl)acetamide IUPAC Name: 2-(2,4-dinitrophenyl)-N-(2-oxothiolan-3-yl)acetamide Traditional Name: 2-(2,4-dinitrophenyl)-N-(2-ketotetrahydrothiophen-3-yl)acetamide Formula: C12H11N3O6S MolecularWeight: 325.29724

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CSC(=O)C1NC(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6S/c16-11(13-9-3-4-22-12(9)17)5-7-1-2-8(14(18)19)6-10(7)15(20)21/h1-2,6,9H,3-5H2,(H,13,16)