(2E)-2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(3-bromo-5-methoxy-4-propoxy-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-pivaloyl-acrylonitrile Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)C(C)(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)C(C)(C)C)OC

InChI

InChI=1S/C18H22BrNO3/c1-6-7-23-16-14(19)9-12(10-15(16)22-5)8-13(11-20)17(21)18(2,3)4/h8-10H,6-7H2,1-5H3/b13-8+