5-[[4-(cyanomethyl)phenoxy]methyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[[4-(cyanomethyl)phenoxy]methyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[[4-(cyanomethyl)phenoxy]methyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[4-(cyanomethyl)phenoxy]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[[4-(cyanomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[4-(cyanomethyl)phenoxy]methyl]-2-methyl-3-furoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC2=CC=C(C=C2)CC#N)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)COC2=CC=C(C=C2)CC#N)C(=O)O

InChI

InChI=1S/C15H13NO4/c1-10-14(15(17)18)8-13(20-10)9-19-12-4-2-11(3-5-12)6-7-16/h2-5,8H,6,9H2,1H3,(H,17,18)