ethyl 3-nitro-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[(3S)-3-(trifluoromethyl)-1-piperidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]benzoic acid ethyl ester Formula: C16H17F3N2O5 MolecularWeight: 374.31179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC[C@@H](C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F3N2O5/c1-2-26-15(23)11-6-10(7-13(8-11)21(24)25)14(22)20-5-3-4-12(9-20)16(17,18)19/h6-8,12H,2-5,9H2,1H3/t12-/m0/s1