2-[4-(2-cyano-2-oxidanylidene-ethanoyl)phenyl]butanoic acid

Systemtic Name: 2-[4-(2-cyano-2-oxidanylidene-ethanoyl)phenyl]butanoic acid Openeye Name: 2-[4-(2-cyano-2-oxo-acetyl)phenyl]butanoic acid CAS Name: 2-[4-(2-cyano-1,2-dioxoethyl)phenyl]butanoic acid IUPAC Name: 2-[4-(2-cyano-2-oxoacetyl)phenyl]butanoic acid Traditional Name: 2-[4-(2-cyano-2-keto-acetyl)phenyl]butyric acid Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4/c1-2-10(13(17)18)8-3-5-9(6-4-8)12(16)11(15)7-14/h3-6,10H,2H2,1H3,(H,17,18)