2-[3-cyano-4-(3-oxidanylpropyl)phenoxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-cyano-4-(3-oxidanylpropyl)phenoxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-cyano-4-(3-hydroxypropyl)phenoxy]-2-oxo-acetic acid CAS Name: 2-[3-cyano-4-(3-hydroxypropyl)phenoxy]-2-oxoacetic acid IUPAC Name: 2-[3-cyano-4-(3-hydroxypropyl)phenoxy]-2-oxoacetic acid Traditional Name: 2-[3-cyano-4-(3-hydroxypropyl)phenoxy]-2-keto-acetic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(=O)C(=O)O)C#N)CCCO

Isomeric SMILES

C1=CC(=C(C=C1OC(=O)C(=O)O)C#N)CCCO

InChI

InChI=1S/C12H11NO5/c13-7-9-6-10(18-12(17)11(15)16)4-3-8(9)2-1-5-14/h3-4,6,14H,1-2,5H2,(H,15,16)