(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H17NO7 MolecularWeight: 419.38358

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17NO7/c25-21(9-15-11-29-20-6-5-14-3-1-2-4-19(14)22(15)20)30-12-17-8-18(24(26)27)7-16-10-28-13-31-23(16)17/h1-8,11H,9-10,12-13H2