4-[5-(2-oxidanylideneethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(2-oxidanylideneethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-(2-oxoethyl)-4,5-dihydroisoxazol-3-yl]benzonitrile CAS Name: 4-[5-(2-oxoethyl)-4,5-dihydroisoxazol-3-yl]benzonitrile IUPAC Name: 4-[5-(2-oxoethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile Traditional Name: 4-[5-(2-ketoethyl)-2-isoxazolin-3-yl]benzonitrile Formula: C12H10N2O2 MolecularWeight: 214.22

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2/c13-8-9-1-3-10(4-2-9)12-7-11(5-6-15)16-14-12/h1-4,6,11H,5,7H2