(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H19NO8 MolecularWeight: 413.37746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H19NO8/c1-3-27-16-4-5-18-17(8-16)12(2)19(30-18)21(23)28-10-14-7-15(22(24)25)6-13-9-26-11-29-20(13)14/h4-8H,3,9-11H2,1-2H3