2-(2-nitro-4-piperidin-1-ylcarbonyl-phenyl)sulfanylethanoate

Systemtic Name: 2-(2-nitro-4-piperidin-1-ylcarbonyl-phenyl)sulfanylethanoate Openeye Name: 2-[2-nitro-4-(piperidine-1-carbonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-[oxo(1-piperidinyl)methyl]phenyl]thio]acetate IUPAC Name: 2-[2-nitro-4-(piperidine-1-carbonyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(piperidine-1-carbonyl)phenyl]thio]acetate Formula: C14H15N2O5S- MolecularWeight: 323.3443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c17-13(18)9-22-12-5-4-10(8-11(12)16(20)21)14(19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,17,18)/p-1