[(4Z)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylidene]-5-oxidanylidene-oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(4Z)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylidene]-5-oxidanylidene-oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(4Z)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylene]-5-oxo-tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(4Z)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-oxolanyl]methyl ester IUPAC Name: [(4Z)-2-(hydroxymethyl)-4-[(4-nitrophenyl)methylidene]-5-oxooxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(4Z)-5-keto-2-methylol-4-(4-nitrobenzylidene)tetrahydrofuran-2-yl]methyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2(CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O2)CO

Isomeric SMILES

CC1=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/C21H19NO7/c1-14-2-6-16(7-3-14)19(24)28-13-21(12-23)11-17(20(25)29-21)10-15-4-8-18(9-5-15)22(26)27/h2-10,23H,11-13H2,1H3/b17-10-