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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-nitrobenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H12N2O8 MolecularWeight: 360.27508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O8/c19-16(13-3-1-2-4-14(13)18(22)23)25-8-11-6-12(17(20)21)5-10-7-24-9-26-15(10)11/h1-6H,7-9H2