(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(trifluoromethyl)phenyl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate CAS Name: 2-[3-(trifluoromethyl)phenyl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[3-(trifluoromethyl)phenyl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H14F3NO6 MolecularWeight: 397.30207

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3NO6/c19-18(20,21)14-3-1-2-11(4-14)5-16(23)27-9-13-7-15(22(24)25)6-12-8-26-10-28-17(12)13/h1-4,6-7H,5,8-10H2