(2E)-2-[(4-cyano-3-methyl-phenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: (2E)-2-[(4-cyano-3-methyl-phenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (2E)-2-[(4-cyano-3-methyl-phenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(4-cyano-3-methylphenyl)methylidene]-3-oxobutanoate IUPAC Name: (2E)-2-[(4-cyano-3-methylphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(4-cyano-3-methyl-phenyl)acrylate Formula: C13H10NO3- MolecularWeight: 228.2234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO3/c1-8-5-10(3-4-11(8)7-14)6-12(9(2)15)13(16)17/h3-6H,1-2H3,(H,16,17)/p-1/b12-6+