3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxidanyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-oxidanyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-hydroxy-3-oxo-propanoic acid CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-hydroxy-3-oxopropanoic acid IUPAC Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-hydroxy-3-oxopropanoic acid Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-hydroxy-3-keto-propionic acid Formula: C16H9ClF3NO7 MolecularWeight: 419.69337

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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)C(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClF3NO7/c17-10-5-7(16(18,19)20)1-4-12(10)28-8-2-3-11(21(26)27)9(6-8)13(22)14(23)15(24)25/h1-6,14,23H,(H,24,25)