(3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylate

Systemtic Name: (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylate Openeye Name: (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidinecarboxylate IUPAC Name: (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-nitro-4-(trifluoromethyl)phenyl]nipecotate Formula: C13H12F3N2O4- MolecularWeight: 317.24059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O4/c14-13(15,16)9-3-4-10(11(6-9)18(21)22)17-5-1-2-8(7-17)12(19)20/h3-4,6,8H,1-2,5,7H2,(H,19,20)/p-1/t8-/m1/s1