[(2S,4E)-5-oxidanylidene-4-[(pyridin-2-ylamino)methylidene]oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4E)-5-oxidanylidene-4-[(pyridin-2-ylamino)methylidene]oxolan-2-yl]methyl benzoate Openeye Name: [(2S,4E)-5-oxo-4-[(2-pyridylamino)methylene]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4E)-5-oxo-4-[(2-pyridinylamino)methylidene]-2-oxolanyl]methyl ester IUPAC Name: [(2S,4E)-5-oxo-4-[(pyridin-2-ylamino)methylidene]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4E)-5-keto-4-[(2-pyridylamino)methylene]tetrahydrofuran-2-yl]methyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C1=CNC2=CC=CC=N2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C\1[C@H](OC(=O)/C1=C/NC2=CC=CC=N2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O4/c21-17(13-6-2-1-3-7-13)23-12-15-10-14(18(22)24-15)11-20-16-8-4-5-9-19-16/h1-9,11,15H,10,12H2,(H,19,20)/b14-11+/t15-/m0/s1