5-[[4-(2-oxidanylidenepropyl)phenoxy]methyl]-1,2-oxazol-3-one

Systemtic Name: 5-[[4-(2-oxidanylidenepropyl)phenoxy]methyl]-1,2-oxazol-3-one Openeye Name: 5-[(4-acetonylphenoxy)methyl]isoxazol-3-one CAS Name: 5-[[4-(2-oxopropyl)phenoxy]methyl]-3-isoxazolone IUPAC Name: 5-[[4-(2-oxopropyl)phenoxy]methyl]-1,2-oxazol-3-one Traditional Name: 5-[(4-acetonylphenoxy)methyl]-4-isoxazolin-3-one Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=C(C=C1)OCC2=CC(=O)NO2

Isomeric SMILES

CC(=O)CC1=CC=C(C=C1)OCC2=CC(=O)NO2

InChI

InChI=1S/C13H13NO4/c1-9(15)6-10-2-4-11(5-3-10)17-8-12-7-13(16)14-18-12/h2-5,7H,6,8H2,1H3,(H,14,16)