1-(5-nitrothiophen-2-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(5-nitrothiophen-2-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(5-nitrothiophene-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(5-nitro-2-thiophenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(5-nitrothiophene-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(5-nitrothiophene-2-carbonyl)isonipecotic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c14-10(8-1-2-9(19-8)13(17)18)12-5-3-7(4-6-12)11(15)16/h1-2,7H,3-6H2,(H,15,16)