(3-methoxy-3-oxidanylidene-propyl) 5-[2-bromanyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl) 5-[2-bromanyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (3-methoxy-3-oxo-propyl) 5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (3-methoxy-3-oxopropyl) ester IUPAC Name: (3-methoxy-3-oxopropyl) 5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (3-keto-3-methoxy-propyl) ester Formula: C18H13BrF3NO7 MolecularWeight: 492.19753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrF3NO7/c1-28-16(24)6-7-29-17(25)12-9-11(3-4-14(12)23(26)27)30-15-5-2-10(8-13(15)19)18(20,21)22/h2-5,8-9H,6-7H2,1H3