(4-nitrophenyl)methyl 2-(4-methoxyphenyl)-5-(6-methoxypyridin-3-yl)-1-benzofuran-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-methoxyphenyl)-5-(6-methoxypyridin-3-yl)-1-benzofuran-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridyl)benzofuran-3-carboxylate CAS Name: 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-3-benzofurancarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-methoxyphenyl)-5-(6-methoxypyridin-3-yl)-1-benzofuran-3-carboxylate Traditional Name: 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridyl)benzofuran-3-carboxylic acid (4-nitrobenzyl) ester Formula: C29H22N2O7 MolecularWeight: 510.49418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)C4=CN=C(C=C4)OC)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)C4=CN=C(C=C4)OC)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H22N2O7/c1-35-23-11-5-19(6-12-23)28-27(29(32)37-17-18-3-9-22(10-4-18)31(33)34)24-15-20(7-13-25(24)38-28)21-8-14-26(36-2)30-16-21/h3-16H,17H2,1-2H3