3-[[2-cyanoethyl(phenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 3-[[2-cyanoethyl(phenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 3-[[N-(2-cyanoethyl)anilino]methyl]furan-2-carboxylic acid CAS Name: 3-[[N-(2-cyanoethyl)anilino]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[N-(2-cyanoethyl)anilino]methyl]furan-2-carboxylic acid Traditional Name: 3-[[N-(2-cyanoethyl)anilino]methyl]-2-furoic acid Formula: C15H14N2O3 MolecularWeight: 270.28326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C15H14N2O3/c16-8-4-9-17(13-5-2-1-3-6-13)11-12-7-10-20-14(12)15(18)19/h1-3,5-7,10H,4,9,11H2,(H,18,19)