(1S,2R,3R,4R)-1,4-bis(3-oxidanylidenebutyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile

Systemtic Name: (1S,2R,3R,4R)-1,4-bis(3-oxidanylidenebutyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile Openeye Name: (1S,2R,3R,4R)-1,4-bis(3-oxobutyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile CAS Name: (1S,2R,3R,4R)-1,4-bis(3-oxobutyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile IUPAC Name: (1S,2R,3R,4R)-1,4-bis(3-oxobutyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile Traditional Name: (1S,2R,3R,4R)-1,4-bis(3-ketobutyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC12C=CC(O1)(C(C2C#N)C#N)CCC(=O)C

Isomeric SMILES

CC(=O)CC[C@@]12C=C[C@@](O1)([C@H]([C@@H]2C#N)C#N)CCC(=O)C

InChI

InChI=1S/C16H18N2O3/c1-11(19)3-5-15-7-8-16(21-15,6-4-12(2)20)14(10-18)13(15)9-17/h7-8,13-14H,3-6H2,1-2H3/t13-,14-,15-,16+/m0/s1