6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one; hexane-2,3-dione

Systemtic Name: 6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one; hexane-2,3-dione Openeye Name: 6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one; hexane-2,3-dione CAS Name: 6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one; hexane-2,3-dione IUPAC Name: 6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one; hexane-2,3-dione Traditional Name: 6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one; hexane-2,3-dione Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=O)C.C1=CC2=CC(=C1)NC2=O

Isomeric SMILES

CCCC(=O)C(=O)C.C1=CC2=CC(=C1)NC2=O

InChI

InChI=1S/C7H5NO.C6H10O2/c9-7-5-2-1-3-6(4-5)8-7;1-3-4-6(8)5(2)7/h1-4H,(H,8,9);3-4H2,1-2H3