3-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 3-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 3-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid CAS Name: 3-[[4-(cyanomethyl)phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 3-[[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=C(OC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)OCC2=C(OC=C2)C(=O)O

InChI

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