methyl 4-(5-cyano-4,5-dihydro-1,2-oxazol-3-yl)benzoate

Systemtic Name: methyl 4-(5-cyano-4,5-dihydro-1,2-oxazol-3-yl)benzoate Openeye Name: methyl 4-(5-cyano-4,5-dihydroisoxazol-3-yl)benzoate CAS Name: 4-(5-cyano-4,5-dihydroisoxazol-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-cyano-4,5-dihydro-1,2-oxazol-3-yl)benzoate Traditional Name: 4-(5-cyano-2-isoxazolin-3-yl)benzoic acid methyl ester Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NOC(C2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NOC(C2)C#N

InChI

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