(2E)-4-ethyl-3-oxidanylidene-2-[oxidanyl(propan-2-yloxy)methylidene]hexanenitrile

Systemtic Name: (2E)-4-ethyl-3-oxidanylidene-2-[oxidanyl(propan-2-yloxy)methylidene]hexanenitrile Openeye Name: (2E)-4-ethyl-2-[hydroxy(isopropoxy)methylene]-3-oxo-hexanenitrile CAS Name: (2E)-4-ethyl-2-[hydroxy(propan-2-yloxy)methylidene]-3-oxohexanenitrile IUPAC Name: (2E)-4-ethyl-2-[hydroxy(propan-2-yloxy)methylidene]-3-oxohexanenitrile Traditional Name: (E)-2-(2-ethylbutanoyl)-3-hydroxy-3-isopropoxy-acrylonitrile Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C(=C(O)OC(C)C)C#N

Isomeric SMILES

CCC(CC)C(=O)/C(=C(\O)/OC(C)C)/C#N

InChI

InChI=1S/C12H19NO3/c1-5-9(6-2)11(14)10(7-13)12(15)16-8(3)4/h8-9,15H,5-6H2,1-4H3/b12-10+