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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-methyl-4-nitro-benzamide Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c1-8-6-9(2-3-11(8)14(16)17)12(15)13-10-4-5-20(18,19)7-10/h2-3,6,10H,4-5,7H2,1H3,(H,13,15)