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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(cyanomethyl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(cyanomethyl)benzoate CAS Name: 2-(cyanomethyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(cyanomethyl)benzoate Traditional Name: 2-(cyanomethyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3CC#N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6/c19-6-5-12-3-1-2-4-16(12)18(21)25-10-14-8-15(20(22)23)7-13-9-24-11-26-17(13)14/h1-4,7-8H,5,9-11H2