4-methylsulfanyl-3-nitro-N-(1-oxidanylpropan-2-yl)benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-(1-oxidanylpropan-2-yl)benzamide Openeye Name: N-(2-hydroxy-1-methyl-ethyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(1-hydroxypropan-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(1-hydroxypropan-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2-hydroxy-1-methyl-ethyl)-4-(methylthio)-3-nitro-benzamide Formula: C11H14N2O4S MolecularWeight: 270.30486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4S/c1-7(6-14)12-11(15)8-3-4-10(18-2)9(5-8)13(16)17/h3-5,7,14H,6H2,1-2H3,(H,12,15)