N-(2-methyl-1-oxidanyl-propan-2-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-methyl-1-oxidanyl-propan-2-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(1-hydroxy-2-methylpropan-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-4-(methylthio)-3-nitro-benzamide Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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