(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13NO8 MolecularWeight: 359.28702

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO8/c19-17(10-1-2-14-15(5-10)25-9-24-14)23-7-12-4-13(18(20)21)3-11-6-22-8-26-16(11)12/h1-5H,6-9H2