5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(2-oxidanylpropyl)benzoate

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-3-(2-oxidanylpropyl)benzoate Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxypropyl)-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxypropyl)-2-nitrobenzoate IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxypropyl)-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxypropyl)-2-nitro-benzoate Formula: C17H12ClF3NO6- MolecularWeight: 418.72849

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC(CC1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C17H13ClF3NO6/c1-8(23)4-9-5-11(7-12(16(24)25)15(9)22(26)27)28-14-3-2-10(6-13(14)18)17(19,20)21/h2-3,5-8,23H,4H2,1H3,(H,24,25)/p-1