methyl 3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-benzoate

Systemtic Name: methyl 3-nitro-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-benzoate CAS Name: 3-nitro-4-[[2-oxo-2-(1-piperidinyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylbenzoate Traditional Name: 4-[(2-keto-2-piperidino-ethyl)thio]-3-nitro-benzoic acid methyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O5S/c1-22-15(19)11-5-6-13(12(9-11)17(20)21)23-10-14(18)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3