1-[(5-fluoranyl-2-nitro-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-fluoro-2-nitro-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-fluoro-2-nitrophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-fluoro-2-nitrophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-fluoro-2-nitro-benzyl)nipecotic acid Formula: C13H15FN2O4 MolecularWeight: 282.267603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC(=C2)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=CC(=C2)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H15FN2O4/c14-11-3-4-12(16(19)20)10(6-11)8-15-5-1-2-9(7-15)13(17)18/h3-4,6,9H,1-2,5,7-8H2,(H,17,18)