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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-(trifluoromethyl)-1-benzimidazolyl]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-(trifluoromethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H14F3N3O6 MolecularWeight: 437.32617

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H14F3N3O6/c20-19(21,22)18-23-14-3-1-2-4-15(14)24(18)7-16(26)30-9-12-6-13(25(27)28)5-11-8-29-10-31-17(11)12/h1-6H,7-10H2