2-nitro-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]carbonyl-phenolate

Systemtic Name: 2-nitro-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]carbonyl-phenolate Openeye Name: 2-nitro-5-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]phenolate CAS Name: 2-nitro-5-[oxo-[(3R)-3-(trifluoromethyl)-1-piperidinyl]methyl]phenolate IUPAC Name: 2-nitro-5-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]phenolate Traditional Name: 2-nitro-5-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]phenolate Formula: C13H12F3N2O4- MolecularWeight: 317.24059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O4/c14-13(15,16)9-2-1-5-17(7-9)12(20)8-3-4-10(18(21)22)11(19)6-8/h3-4,6,9,19H,1-2,5,7H2/p-1/t9-/m1/s1