morpholin-4-yl-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]methanone

Systemtic Name: morpholin-4-yl-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]methanone Openeye Name: morpholino-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidyl]methanone CAS Name: 4-morpholinyl-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidinyl]methanone IUPAC Name: morpholin-4-yl-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]methanone Traditional Name: morpholino-[(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidyl]methanone Formula: C17H20F3N3O4 MolecularWeight: 387.35361

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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)N3CCOCC3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)N3CCOCC3

InChI

InChI=1S/C17H20F3N3O4/c18-17(19,20)13-3-4-14(15(10-13)23(25)26)22-5-1-2-12(11-22)16(24)21-6-8-27-9-7-21/h3-4,10,12H,1-2,5-9,11H2/t12-/m0/s1