(2E)-2-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(4-allyloxy-3-bromo-5-ethoxy-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-ethoxy-phenyl)-2-pivaloyl-acrylonitrile Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)C(C)(C)C)Br)OCC=C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C(C)(C)C)Br)OCC=C

InChI

InChI=1S/C19H22BrNO3/c1-6-8-24-17-15(20)10-13(11-16(17)23-7-2)9-14(12-21)18(22)19(3,4)5/h6,9-11H,1,7-8H2,2-5H3/b14-9+