5-[[(4-cyanophenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(4-cyanophenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-cyanoanilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-cyanoanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-cyanoanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-cyanoanilino)methyl]-2-furoic acid Formula: C13H10N2O3 MolecularWeight: 242.2301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H10N2O3/c14-7-9-1-3-10(4-2-9)15-8-11-5-6-12(18-11)13(16)17/h1-6,15H,8H2,(H,16,17)