5-(4-cyanophenyl)-4-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: 5-(4-cyanophenyl)-4-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: 5-(4-cyanophenyl)-4-ethyl-4,5-dihydroisoxazole-3-carboxylate CAS Name: 5-(4-cyanophenyl)-4-ethyl-4,5-dihydroisoxazole-3-carboxylate IUPAC Name: 5-(4-cyanophenyl)-4-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: 5-(4-cyanophenyl)-4-ethyl-2-isoxazoline-3-carboxylate Formula: C13H11N2O3- MolecularWeight: 243.23804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(ON=C1C(=O)[O-])C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1C(ON=C1C(=O)[O-])C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H12N2O3/c1-2-10-11(13(16)17)15-18-12(10)9-5-3-8(7-14)4-6-9/h3-6,10,12H,2H2,1H3,(H,16,17)/p-1