3-(3-cyanophenyl)-2-ethanoyl-4-oxidanylidene-hexanoic acid

Systemtic Name: 3-(3-cyanophenyl)-2-ethanoyl-4-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(3-cyanophenyl)-4-oxo-hexanoic acid CAS Name: 2-acetyl-3-(3-cyanophenyl)-4-oxohexanoic acid IUPAC Name: 2-acetyl-3-(3-cyanophenyl)-4-oxohexanoic acid Traditional Name: 2-acetyl-3-(3-cyanophenyl)-4-keto-hexanoic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO4/c1-3-12(18)14(13(9(2)17)15(19)20)11-6-4-5-10(7-11)8-16/h4-7,13-14H,3H2,1-2H3,(H,19,20)