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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-benzofuran-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H13NO7 MolecularWeight: 355.29832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO7/c20-18(16-7-11-3-1-2-4-15(11)26-16)24-9-13-6-14(19(21)22)5-12-8-23-10-25-17(12)13/h1-7H,8-10H2