3-(2-cyanoethylamino)benzoic acid

Systemtic Name: 3-(2-cyanoethylamino)benzoic acid Openeye Name: 3-(2-cyanoethylamino)benzoic acid CAS Name: 3-(2-cyanoethylamino)benzoic acid IUPAC Name: 3-(2-cyanoethylamino)benzoic acid Traditional Name: 3-(2-cyanoethylamino)benzoic acid Formula: C10H10N2O2 MolecularWeight: 190.1986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCCC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCCC#N)C(=O)O

InChI

InChI=1S/C10H10N2O2/c11-5-2-6-12-9-4-1-3-8(7-9)10(13)14/h1,3-4,7,12H,2,6H2,(H,13,14)