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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-bromanylphenoxy)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16BrNO7 MolecularWeight: 438.22614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO7/c1-11(27-16-4-2-14(19)3-5-16)18(21)25-9-13-7-15(20(22)23)6-12-8-24-10-26-17(12)13/h2-7,11H,8-10H2,1H3