(2E)-2-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-pivaloyl-acrylonitrile Formula: C18H18ClNO3 MolecularWeight: 331.79342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC(=C(C(=C1)Cl)OCC#C)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC(=C(C(=C1)Cl)OCC#C)OC)/C#N

InChI

InChI=1S/C18H18ClNO3/c1-6-7-23-16-14(19)9-12(10-15(16)22-5)8-13(11-20)17(21)18(2,3)4/h1,8-10H,7H2,2-5H3/b13-8+