(2E)-2-[(4-cyanophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: (2E)-2-[(4-cyanophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (2E)-2-[(4-cyanophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(4-cyanophenyl)methylidene]-3-oxobutanoate IUPAC Name: (2E)-2-[(4-cyanophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(4-cyanophenyl)acrylate Formula: C12H8NO3- MolecularWeight: 214.19682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(C=C1)C#N)C(=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC=C(C=C1)C#N)/C(=O)[O-]

InChI

InChI=1S/C12H9NO3/c1-8(14)11(12(15)16)6-9-2-4-10(7-13)5-3-9/h2-6H,1H3,(H,15,16)/p-1/b11-6+