(4-methylsulfanyl-3-nitro-phenyl)-(3-oxidanylpiperidin-1-yl)methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-(3-oxidanylpiperidin-1-yl)methanone Openeye Name: (3-hydroxy-1-piperidyl)-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: (3-hydroxy-1-piperidinyl)-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: (3-hydroxypiperidin-1-yl)-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: (3-hydroxypiperidino)-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCCC(C2)O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCCC(C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c1-20-12-5-4-9(7-11(12)15(18)19)13(17)14-6-2-3-10(16)8-14/h4-5,7,10,16H,2-3,6,8H2,1H3