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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-phenoxybutanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19NO7 MolecularWeight: 373.35666

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO7/c21-18(7-4-8-25-17-5-2-1-3-6-17)26-12-15-10-16(20(22)23)9-14-11-24-13-27-19(14)15/h1-3,5-6,9-10H,4,7-8,11-13H2