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

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-piperidin-1-yl-methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-(1-piperidyl)methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-piperidin-1-ylmethanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-piperidino-methanone Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3S/c1-19-12-6-5-10(9-11(12)15(17)18)13(16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3