(3S)-1-(5-nitrofuran-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(5-nitrofuran-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(5-nitrofuran-2-carbonyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(5-nitro-2-furanyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(5-nitrofuran-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(5-nitro-2-furoyl)nipecotic acid Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N2O6/c14-10(8-3-4-9(19-8)13(17)18)12-5-1-2-7(6-12)11(15)16/h3-4,7H,1-2,5-6H2,(H,15,16)/t7-/m0/s1