3-cyano-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-cyano-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-cyano-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 3-cyano-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 3-cyano-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 3-cyano-4-keto-4-(p-tolyl)butyric acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-8-2-4-9(5-3-8)12(16)10(7-13)6-11(14)15/h2-5,10H,6H2,1H3,(H,14,15)