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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-bromanyl-N-methyl-3-nitro-benzamide Openeye Name: 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitro-benzamide CAS Name: 4-bromo-N-(1,1-dioxo-3-thiolanyl)-N-methyl-3-nitrobenzamide IUPAC Name: 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide Traditional Name: 4-bromo-N-(1,1-diketothiolan-3-yl)-N-methyl-3-nitro-benzamide Formula: C12H13BrN2O5S MolecularWeight: 377.21102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O5S/c1-14(9-4-5-21(19,20)7-9)12(16)8-2-3-10(13)11(6-8)15(17)18/h2-3,6,9H,4-5,7H2,1H3