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

Systemtic Name: methyl 3-(3-cyanophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(3-cyanophenyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-(3-cyanophenyl)-4,5-dihydroisoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-(3-cyanophenyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=NO1)C2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)C1CC(=NO1)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H10N2O3/c1-16-12(15)11-6-10(14-17-11)9-4-2-3-8(5-9)7-13/h2-5,11H,6H2,1H3