5-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(cyanomethyl)phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(cyanomethyl)phenoxy]methyl]-2-furoic acid Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C14H11NO4/c15-8-7-10-1-3-11(4-2-10)18-9-12-5-6-13(19-12)14(16)17/h1-6H,7,9H2,(H,16,17)