(3,3-dimethyl-2-oxidanylidene-butyl) 4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(difluoromethoxy)-5-methoxy-2-nitro-benzoate CAS Name: 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate Traditional Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H17F2NO7 MolecularWeight: 361.294786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC(F)F)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC(F)F)OC

InChI

InChI=1S/C15H17F2NO7/c1-15(2,3)12(19)7-24-13(20)8-5-10(23-4)11(25-14(16)17)6-9(8)18(21)22/h5-6,14H,7H2,1-4H3