(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H19NO8 MolecularWeight: 461.42026

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19NO8/c27-25(32-13-17-11-18(26(28)29)10-16-12-30-15-33-23(16)17)24-21(14-31-19-6-2-1-3-7-19)20-8-4-5-9-22(20)34-24/h1-11H,12-15H2