methyl (1S,2R)-2-[(E)-6-cyanohex-2-enyl]-3-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-[(E)-6-cyanohex-2-enyl]-3-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl (1S,2R)-2-[(E)-6-cyanohex-2-enyl]-3-oxo-cyclopentanecarboxylate CAS Name: (1S,2R)-2-[(E)-6-cyanohex-2-enyl]-3-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-[(E)-6-cyanohex-2-enyl]-3-oxocyclopentane-1-carboxylate Traditional Name: (1S,2R)-2-[(E)-6-cyanohex-2-enyl]-3-keto-cyclopentanecarboxylic acid methyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)C1CC=CCCCC#N

Isomeric SMILES

COC(=O)[C@H]1CCC(=O)[C@@H]1C/C=C/CCCC#N

InChI

InChI=1S/C14H19NO3/c1-18-14(17)12-8-9-13(16)11(12)7-5-3-2-4-6-10-15/h3,5,11-12H,2,4,6-9H2,1H3/b5-3+/t11-,12+/m1/s1