5-phenyl-4-propyl-1,2-oxazol-3-one hydrochloride

Systemtic Name: 5-phenyl-4-propyl-1,2-oxazol-3-one hydrochloride Openeye Name: 5-phenyl-4-propyl-isoxazol-3-one hydrochloride CAS Name: 5-phenyl-4-propyl-3-isoxazolone hydrochloride IUPAC Name: 5-phenyl-4-propyl-1,2-oxazol-3-one hydrochloride Traditional Name: 5-phenyl-4-propyl-4-isoxazolin-3-one hydrochloride Formula: C12H14ClNO2 MolecularWeight: 239.69806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(ONC1=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CCCC1=C(ONC1=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C12H13NO2.ClH/c1-2-6-10-11(15-13-12(10)14)9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3,(H,13,14);1H