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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-N-methyl-4-nitro-benzamide Openeye Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-nitro-benzamide CAS Name: 2-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-nitrobenzamide Traditional Name: 2-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-4-nitro-benzamide Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O5S/c1-14(9-4-5-21(19,20)7-9)12(16)10-3-2-8(15(17)18)6-11(10)13/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1