4-methoxy-2H-phthalazin-1-one; 5-oxabicyclo[2.1.1]hexane

Systemtic Name: 4-methoxy-2H-phthalazin-1-one; 5-oxabicyclo[2.1.1]hexane Openeye Name: 4-methoxy-2H-phthalazin-1-one; 5-oxabicyclo[2.1.1]hexane CAS Name: 4-methoxy-2H-phthalazin-1-one; 5-oxabicyclo[2.1.1]hexane IUPAC Name: 4-methoxy-2H-phthalazin-1-one; 5-oxabicyclo[2.1.1]hexane Traditional Name: 4-methoxy-2H-phthalazin-1-one; 5-oxabicyclo[2.1.1]hexane Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=O)C2=CC=CC=C21.C1CC2CC1O2

Isomeric SMILES

COC1=NNC(=O)C2=CC=CC=C21.C1CC2CC1O2

InChI

InChI=1S/C9H8N2O2.C5H8O/c1-13-9-7-5-3-2-4-6(7)8(12)10-11-9;1-2-5-3-4(1)6-5/h2-5H,1H3,(H,10,12);4-5H,1-3H2