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

Systemtic Name: 5-[4-(2-oxidanylidenepropyl)phenyl]-1,2-oxazol-3-one Openeye Name: 5-(4-acetonylphenyl)isoxazol-3-one CAS Name: 5-[4-(2-oxopropyl)phenyl]-3-isoxazolone IUPAC Name: 5-[4-(2-oxopropyl)phenyl]-1,2-oxazol-3-one Traditional Name: 5-(4-acetonylphenyl)-4-isoxazolin-3-one Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC=C(C=C1)C2=CC(=O)NO2

Isomeric SMILES

CC(=O)CC1=CC=C(C=C1)C2=CC(=O)NO2

InChI

InChI=1S/C12H11NO3/c1-8(14)6-9-2-4-10(5-3-9)11-7-12(15)13-16-11/h2-5,7H,6H2,1H3,(H,13,15)