methyl (2S,4E)-4-(cyanomethylidene)-5-oxidanylidene-oxolane-2-carboxylate

Systemtic Name: methyl (2S,4E)-4-(cyanomethylidene)-5-oxidanylidene-oxolane-2-carboxylate Openeye Name: methyl (2S,4E)-4-(cyanomethylene)-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: (2S,4E)-4-(cyanomethylidene)-5-oxo-2-oxolanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4E)-4-(cyanomethylidene)-5-oxooxolane-2-carboxylate Traditional Name: (2S,4E)-4-(cyanomethylene)-5-keto-tetrahydrofuran-2-carboxylic acid methyl ester Formula: C8H7NO4 MolecularWeight: 181.14548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=CC#N)C(=O)O1

Isomeric SMILES

COC(=O)[C@@H]1C/C(=C\C#N)/C(=O)O1

InChI

InChI=1S/C8H7NO4/c1-12-8(11)6-4-5(2-3-9)7(10)13-6/h2,6H,4H2,1H3/b5-2+/t6-/m0/s1