(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-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 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H12ClNO8 MolecularWeight: 393.73208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO8/c18-13-3-9(4-14-16(13)27-8-25-14)17(20)24-6-11-2-12(19(21)22)1-10-5-23-7-26-15(10)11/h1-4H,5-8H2