3-methyl-4-nitro-N-(2-oxidanylidenethiolan-3-yl)benzamide

Systemtic Name: 3-methyl-4-nitro-N-(2-oxidanylidenethiolan-3-yl)benzamide Openeye Name: 3-methyl-4-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide CAS Name: 3-methyl-4-nitro-N-(2-oxo-3-thiolanyl)benzamide IUPAC Name: 3-methyl-4-nitro-N-(2-oxothiolan-3-yl)benzamide Traditional Name: N-(2-ketotetrahydrothiophen-3-yl)-3-methyl-4-nitro-benzamide Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCSC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCSC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4S/c1-7-6-8(2-3-10(7)14(17)18)11(15)13-9-4-5-19-12(9)16/h2-3,6,9H,4-5H2,1H3,(H,13,15)