[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Cl)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Cl)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c19-17-6-5-16(27-17)15(22)11-26-18(23)12-7-9-20(10-8-12)13-3-1-2-4-14(13)21(24)25/h1-6,12H,7-11H2