(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluoranylphenoxy)-2-methyl-propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluoranylphenoxy)-2-methyl-propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-fluorophenoxy)-2-methylpropanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-fluorophenoxy)-2-methyl-propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18FNO7 MolecularWeight: 391.347123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FNO7/c1-19(2,28-16-5-3-14(20)4-6-16)18(22)26-10-13-8-15(21(23)24)7-12-9-25-11-27-17(12)13/h3-8H,9-11H2,1-2H3