4-[(3-fluoranyl-5-nitro-4-oxidanyl-phenyl)methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[(3-fluoranyl-5-nitro-4-oxidanyl-phenyl)methyl]piperidine-1-carboxylic acid Openeye Name: 4-[(3-fluoro-4-hydroxy-5-nitro-phenyl)methyl]piperidine-1-carboxylic acid CAS Name: 4-[(3-fluoro-4-hydroxy-5-nitrophenyl)methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[(3-fluoro-4-hydroxy-5-nitrophenyl)methyl]piperidine-1-carboxylic acid Traditional Name: 4-(3-fluoro-4-hydroxy-5-nitro-benzyl)piperidine-1-carboxylic acid Formula: C13H15FN2O5 MolecularWeight: 298.267003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC(=C(C(=C2)F)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC(=C(C(=C2)F)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H15FN2O5/c14-10-6-9(7-11(12(10)17)16(20)21)5-8-1-3-15(4-2-8)13(18)19/h6-8,17H,1-5H2,(H,18,19)