N-(2-methyl-1-oxidanyl-propan-2-yl)-5-methylsulfanyl-2-nitro-benzamide

Systemtic Name: N-(2-methyl-1-oxidanyl-propan-2-yl)-5-methylsulfanyl-2-nitro-benzamide Openeye Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-5-methylsulfanyl-2-nitro-benzamide CAS Name: N-(1-hydroxy-2-methylpropan-2-yl)-5-(methylthio)-2-nitrobenzamide IUPAC Name: N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfanyl-2-nitrobenzamide Traditional Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-5-(methylthio)-2-nitro-benzamide Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CO)NC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-12(2,7-15)13-11(16)9-6-8(19-3)4-5-10(9)14(17)18/h4-6,15H,7H2,1-3H3,(H,13,16)