(2E)-2-[(3-cyanophenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(3-cyanophenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(3-cyanophenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(3-cyanophenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(3-cyanophenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(3-cyanophenyl)acrylic acid Formula: C12H9NO3 MolecularWeight: 215.20476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC(=C1)C#N)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC(=C1)C#N)/C(=O)O

InChI

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