3-cyano-2-oxidanylidene-3-phenyl-pentanoic acid

Systemtic Name: 3-cyano-2-oxidanylidene-3-phenyl-pentanoic acid Openeye Name: 3-cyano-2-oxo-3-phenyl-pentanoic acid CAS Name: 3-cyano-2-oxo-3-phenylpentanoic acid IUPAC Name: 3-cyano-2-oxo-3-phenylpentanoic acid Traditional Name: 3-cyano-2-keto-3-phenyl-valeric acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-2-12(8-13,10(14)11(15)16)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H,15,16)