[(2,5-dimethoxyphenyl)-(3-oxidanyl-1,3-dihydro-2-benzofuran-1-yl)methyl] 4-nitrobenzoate

Systemtic Name: [(2,5-dimethoxyphenyl)-(3-oxidanyl-1,3-dihydro-2-benzofuran-1-yl)methyl] 4-nitrobenzoate Openeye Name: [(2,5-dimethoxyphenyl)-(3-hydroxy-1,3-dihydroisobenzofuran-1-yl)methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2,5-dimethoxyphenyl)-(3-hydroxy-1,3-dihydroisobenzofuran-1-yl)methyl] ester IUPAC Name: [(2,5-dimethoxyphenyl)-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)methyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2,5-dimethoxyphenyl)-(3-hydroxyphthalan-1-yl)methyl] ester Formula: C24H21NO8 MolecularWeight: 451.42544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2C3=CC=CC=C3C(O2)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2C3=CC=CC=C3C(O2)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21NO8/c1-30-16-11-12-20(31-2)19(13-16)22(21-17-5-3-4-6-18(17)24(27)33-21)32-23(26)14-7-9-15(10-8-14)25(28)29/h3-13,21-22,24,27H,1-2H3