(3S)-1-(2-fluoranyl-4-nitro-phenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-fluoranyl-4-nitro-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-fluoro-4-nitro-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-fluoro-4-nitrophenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-fluoro-4-nitrophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-fluoro-4-nitro-phenyl)nipecotate Formula: C12H12FN2O4- MolecularWeight: 267.233083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FN2O4/c13-10-6-9(15(18)19)3-4-11(10)14-5-1-2-8(7-14)12(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17)/p-1/t8-/m0/s1