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

Systemtic Name: 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-nitroso-butanoic acid Openeye Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-nitroso-butanoic acid CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-3-nitrosobutanoic acid IUPAC Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-3-nitrosobutanoic acid Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-nitroso-butyric acid Formula: C17H12ClF3N2O6 MolecularWeight: 432.73519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClF3N2O6/c1-16(22-26,8-15(24)25)11-7-10(3-4-13(11)23(27)28)29-14-5-2-9(6-12(14)18)17(19,20)21/h2-7H,8H2,1H3,(H,24,25)