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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-fluoranylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H12FNO6 MolecularWeight: 333.267983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12FNO6/c17-13-3-1-2-10(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