4-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)octan-2-one

Systemtic Name: 4-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)octan-2-one Openeye Name: 4-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)octan-2-one CAS Name: 4-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-2-octanone IUPAC Name: 4-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)octan-2-one Traditional Name: 4-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)octan-2-one Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)C)C1(OC(=NO1)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC(CC(=O)C)C1(OC(=NO1)C2=CC=CC=C2)C

InChI

InChI=1S/C17H23NO3/c1-4-5-11-15(12-13(2)19)17(3)20-16(18-21-17)14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3