butyl 2-[5-fluoranyl-4-[5-methyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-2-nitro-phenoxy]ethanoate

Systemtic Name: butyl 2-[5-fluoranyl-4-[5-methyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-2-nitro-phenoxy]ethanoate Openeye Name: butyl 2-[5-fluoro-4-[5-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-nitro-phenoxy]acetate CAS Name: 2-[5-fluoro-4-[5-methyl-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-2-nitrophenoxy]acetic acid butyl ester IUPAC Name: butyl 2-[5-fluoro-4-[5-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-nitrophenoxy]acetate Traditional Name: 2-[5-fluoro-4-[6-keto-5-methyl-4-(trifluoromethyl)pyrimidin-1-yl]-2-nitro-phenoxy]acetic acid butyl ester Formula: C18H17F4N3O6 MolecularWeight: 447.337693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC1=C(C=C(C(=C1)F)N2C=NC(=C(C2=O)C)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)COC1=C(C=C(C(=C1)F)N2C=NC(=C(C2=O)C)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F4N3O6/c1-3-4-5-30-15(26)8-31-14-6-11(19)12(7-13(14)25(28)29)24-9-23-16(18(20,21)22)10(2)17(24)27/h6-7,9H,3-5,8H2,1-2H3