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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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