3-pyridin-3-ylpropyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate

Systemtic Name: 3-pyridin-3-ylpropyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: 3-(3-pyridyl)propyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetic acid 3-(3-pyridyl)propyl ester Formula: C23H18ClF3N2O5 MolecularWeight: 494.84763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCOC(=O)CC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CCCOC(=O)CC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClF3N2O5/c24-19-13-17(23(25,26)27)5-8-21(19)34-18-6-7-20(29(31)32)16(11-18)12-22(30)33-10-2-4-15-3-1-9-28-14-15/h1,3,5-9,11,13-14H,2,4,10,12H2