(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetate CAS Name: 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetate Traditional Name: 2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13F3N2O7 MolecularWeight: 414.28953

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C=C(C=CC3=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C=C(C=CC3=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N2O7/c18-17(19,20)12-1-2-14(23)21(5-12)6-15(24)28-8-11-4-13(22(25)26)3-10-7-27-9-29-16(10)11/h1-5H,6-9H2