[(4E)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylidene]-5-oxidanylidene-oxolan-2-yl]methyl 4-methoxybenzoate

Systemtic Name: [(4E)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylidene]-5-oxidanylidene-oxolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [(4E)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylene]-5-oxo-tetrahydrofuran-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(4E)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-oxolanyl]methyl ester IUPAC Name: [(4E)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylidene]-5-oxooxolan-2-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(4E)-5-keto-2-methylol-4-(4-nitrobenzylidene)tetrahydrofuran-2-yl]methyl ester Formula: C21H19NO8 MolecularWeight: 413.37746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2(CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O2)CO

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC2(C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)O2)CO

InChI

InChI=1S/C21H19NO8/c1-28-18-8-4-15(5-9-18)19(24)29-13-21(12-23)11-16(20(25)30-21)10-14-2-6-17(7-3-14)22(26)27/h2-10,23H,11-13H2,1H3/b16-10+