2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]acetic acid CAS Name: 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]acetic acid IUPAC Name: 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(4-cyanophenyl)-2-isoxazolin-5-yl]acetic acid Formula: C12H10N2O3 MolecularWeight: 230.2194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=C(C=C2)C#N)CC(=O)O

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)C#N)CC(=O)O

InChI

InChI=1S/C12H10N2O3/c13-7-8-1-3-9(4-2-8)11-5-10(17-14-11)6-12(15)16/h1-4,10H,5-6H2,(H,15,16)