2-prop-2-ynyl-4H-isoquinoline-1,3-dione

Systemtic Name: 2-prop-2-ynyl-4H-isoquinoline-1,3-dione Openeye Name: 2-prop-2-ynyl-4H-isoquinoline-1,3-dione CAS Name: 2-prop-2-ynyl-4H-isoquinoline-1,3-dione IUPAC Name: 2-prop-2-ynyl-4H-isoquinoline-1,3-dione Traditional Name: 2-propargyl-4H-isoquinoline-1,3-quinone Formula: C12H9NO2 MolecularWeight: 199.20536

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

C#CCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H9NO2/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12(13)15/h1,3-6H,7-8H2