1-[2-(2-nitrophenyl)sulfanylethanoyl]piperidin-4-one

Systemtic Name: 1-[2-(2-nitrophenyl)sulfanylethanoyl]piperidin-4-one Openeye Name: 1-[2-(2-nitrophenyl)sulfanylacetyl]piperidin-4-one CAS Name: 1-[2-[(2-nitrophenyl)thio]-1-oxoethyl]-4-piperidinone IUPAC Name: 1-[2-(2-nitrophenyl)sulfanylacetyl]piperidin-4-one Traditional Name: 1-[2-[(2-nitrophenyl)thio]acetyl]-4-piperidone Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C(=O)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1=O)C(=O)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c16-10-5-7-14(8-6-10)13(17)9-20-12-4-2-1-3-11(12)15(18)19/h1-4H,5-9H2