(5-butyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-phenyl-methanone

Systemtic Name: (5-butyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-phenyl-methanone Openeye Name: (5-butyl-2-oxido-4,5-dihydroisoxazol-2-ium-3-yl)-phenyl-methanone CAS Name: (5-butyl-2-oxido-4,5-dihydroisoxazol-2-ium-3-yl)-phenylmethanone IUPAC Name: (5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-yl)-phenylmethanone Traditional Name: (5-butyl-2-oxido-2-isoxazolin-2-ium-3-yl)-phenyl-methanone Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=[N+](O1)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1CC(=[N+](O1)[O-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c1-2-3-9-12-10-13(15(17)18-12)14(16)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3