(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H15F2NO8 MolecularWeight: 411.310406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC(F)F

InChI

InChI=1S/C18H15F2NO8/c1-25-15-6-10(2-3-14(15)29-18(19)20)17(22)27-8-12-5-13(21(23)24)4-11-7-26-9-28-16(11)12/h2-6,18H,7-9H2,1H3