ethyl (3E)-3-[(4-cyanophenyl)methylidene]-2-methyl-4-oxidanylidene-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3E)-3-[(4-cyanophenyl)methylidene]-2-methyl-4-oxidanylidene-cyclohexene-1-carboxylate Openeye Name: ethyl (3E)-3-[(4-cyanophenyl)methylene]-2-methyl-4-oxo-cyclohexene-1-carboxylate CAS Name: (3E)-3-[(4-cyanophenyl)methylidene]-2-methyl-4-oxo-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3E)-3-[(4-cyanophenyl)methylidene]-2-methyl-4-oxocyclohexene-1-carboxylate Traditional Name: (3E)-3-(4-cyanobenzylidene)-4-keto-2-methyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=CC=C(C=C2)C#N)C(=O)CC1)C

Isomeric SMILES

CCOC(=O)C1=C(/C(=C\C2=CC=C(C=C2)C#N)/C(=O)CC1)C

InChI

InChI=1S/C18H17NO3/c1-3-22-18(21)15-8-9-17(20)16(12(15)2)10-13-4-6-14(11-19)7-5-13/h4-7,10H,3,8-9H2,1-2H3/b16-10+