ethyl 1-[(5-nitrothiophen-2-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-nitrothiophen-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-nitro-2-thienyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(5-nitro-2-thiophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-nitrothiophen-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(5-nitro-2-thienyl)methyl]isonipecotic acid ethyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-2-19-13(16)10-5-7-14(8-6-10)9-11-3-4-12(20-11)15(17)18/h3-4,10H,2,5-9H2,1H3