methyl (3aR,7aS)-4-cyano-7a-methoxy-2-oxidanylidene-3a,5,6,7-tetrahydro-3H-1-benzofuran-4-carboxylate

Systemtic Name: methyl (3aR,7aS)-4-cyano-7a-methoxy-2-oxidanylidene-3a,5,6,7-tetrahydro-3H-1-benzofuran-4-carboxylate Openeye Name: methyl (3aR,7aS)-4-cyano-7a-methoxy-2-oxo-3a,5,6,7-tetrahydro-3H-benzofuran-4-carboxylate CAS Name: (3aR,7aS)-4-cyano-7a-methoxy-2-oxo-3a,5,6,7-tetrahydro-3H-benzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aS)-4-cyano-7a-methoxy-2-oxo-3a,5,6,7-tetrahydro-3H-1-benzofuran-4-carboxylate Traditional Name: (3aR,7aS)-4-cyano-2-keto-7a-methoxy-3a,5,6,7-tetrahydro-3H-benzofuran-4-carboxylic acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC2(C1CC(=O)O2)OC)C#N

Isomeric SMILES

COC(=O)C1(CCC[C@]2([C@@H]1CC(=O)O2)OC)C#N

InChI

InChI=1S/C12H15NO5/c1-16-10(15)11(7-13)4-3-5-12(17-2)8(11)6-9(14)18-12/h8H,3-6H2,1-2H3/t8-,11?,12+/m1/s1