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

Systemtic Name: 3-(2-cyanophenyl)-2-ethanoyl-4-oxidanylidene-nonanoic acid Openeye Name: 2-acetyl-3-(2-cyanophenyl)-4-oxo-nonanoic acid CAS Name: 2-acetyl-3-(2-cyanophenyl)-4-oxononanoic acid IUPAC Name: 2-acetyl-3-(2-cyanophenyl)-4-oxononanoic acid Traditional Name: 2-acetyl-3-(2-cyanophenyl)-4-keto-pelargonic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C1=CC=CC=C1C#N)C(C(=O)C)C(=O)O

Isomeric SMILES

CCCCCC(=O)C(C1=CC=CC=C1C#N)C(C(=O)C)C(=O)O

InChI

InChI=1S/C18H21NO4/c1-3-4-5-10-15(21)17(16(12(2)20)18(22)23)14-9-7-6-8-13(14)11-19/h6-9,16-17H,3-5,10H2,1-2H3,(H,22,23)