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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(3-bromanylphenoxy)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18BrNO7 MolecularWeight: 452.25272

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCOC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCOC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrNO7/c20-15-3-1-4-17(9-15)26-6-2-5-18(22)27-11-14-8-16(21(23)24)7-13-10-25-12-28-19(13)14/h1,3-4,7-9H,2,5-6,10-12H2