3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxypropanoic acid

Systemtic Name: 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyloxypropanoic acid Openeye Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxypropanoic acid CAS Name: 3-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethoxy]propanoic acid IUPAC Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]oxypropanoic acid Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]oxypropionic acid Formula: C17H11ClF3NO7 MolecularWeight: 433.71995

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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)OCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF3NO7/c18-12-7-9(17(19,20)21)1-4-14(12)29-10-2-3-13(22(26)27)11(8-10)16(25)28-6-5-15(23)24/h1-4,7-8H,5-6H2,(H,23,24)