N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-chloranyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-chloranyl-2-nitro-phenoxy)ethanamide Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-(4-chloro-2-nitrophenoxy)-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C12H13ClN2O6S MolecularWeight: 348.75942

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O6S/c13-8-1-2-11(10(5-8)15(17)18)21-6-12(16)14-9-3-4-22(19,20)7-9/h1-2,5,9H,3-4,6-7H2,(H,14,16)/t9-/m0/s1