ethyl 5-(2,4,6-triethyl-3-oxycyano-phenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-(2,4,6-triethyl-3-oxycyano-phenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-(2,4,6-triethyl-3-oxycyano-phenyl)-4,5-dihydroisoxazole-3-carboxylate CAS Name: 5-(2,4,6-triethyl-3-oxidocyanophenyl)-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,4,6-triethyl-3-oxycyanophenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: 5-(2,4,6-triethyl-3-oxycyano-phenyl)-2-isoxazoline-3-carboxylic acid ethyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1C#[N+][O-])CC)C2CC(=NO2)C(=O)OCC)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1C#[N+][O-])CC)C2CC(=NO2)C(=O)OCC)CC

InChI

InChI=1S/C19H24N2O4/c1-5-12-9-13(6-2)18(14(7-3)15(12)11-20-23)17-10-16(21-25-17)19(22)24-8-4/h9,17H,5-8,10H2,1-4H3