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

Systemtic Name: 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoate Openeye Name: 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]acetate CAS Name: 2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]acetate IUPAC Name: 2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate Traditional Name: 2-[3-(4-cyanophenyl)-2-isoxazolin-5-yl]acetate Formula: C12H9N2O3- MolecularWeight: 229.21146

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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)/p-1