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

Systemtic Name: 3-oxidanylpropyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 3-hydroxypropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 3-hydroxypropyl ester Formula: C17H13ClF3NO6 MolecularWeight: 419.73643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCCO

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCCO

InChI

InChI=1S/C17H13ClF3NO6/c18-13-8-10(17(19,20)21)2-5-15(13)28-11-3-4-14(22(25)26)12(9-11)16(24)27-7-1-6-23/h2-5,8-9,23H,1,6-7H2