5-[[bis(cyanomethyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[bis(cyanomethyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[bis(cyanomethyl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[bis(cyanomethyl)amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[bis(cyanomethyl)amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[bis(cyanomethyl)amino]methyl]-2-furoic acid Formula: C10H9N3O3 MolecularWeight: 219.19676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CN(CC#N)CC#N

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CN(CC#N)CC#N

InChI

InChI=1S/C10H9N3O3/c11-3-5-13(6-4-12)7-8-1-2-9(16-8)10(14)15/h1-2H,5-7H2,(H,14,15)