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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-bromanylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO6/c17-14-4-2-1-3-13(14)16(19)23-8-11-6-12(18(20)21)5-10-7-22-9-24-15(10)11/h1-6H,7-9H2