3-[(2S)-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]pyridine Openeye Name: 3-[(2S)-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]pyridine CAS Name: 3-[(2S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-2-pyrrolidinyl]pyridine IUPAC Name: 3-[(2S)-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]pyridine Traditional Name: 3-[(2S)-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]pyridine Formula: C16H14F3N3O2 MolecularWeight: 337.29647

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C16H14F3N3O2/c17-16(18,19)12-5-6-14(15(9-12)22(23)24)21-8-2-4-13(21)11-3-1-7-20-10-11/h1,3,5-7,9-10,13H,2,4,8H2/t13-/m0/s1