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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-nitrobenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-nitrobenzoate Traditional Name: 3-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(10-2-1-3-13(4-10)17(20)21)25-8-12-6-14(18(22)23)5-11-7-24-9-26-15(11)12/h1-6H,7-9H2