4-(2-oxidanylidenepropyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(2-oxidanylidenepropyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-acetonyl-4H-isoquinoline-1,3-dione CAS Name: 4-(2-oxopropyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-(2-oxopropyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-acetonyl-4H-isoquinoline-1,3-quinone Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=CC=CC=C2C(=O)NC1=O

Isomeric SMILES

CC(=O)CC1C2=CC=CC=C2C(=O)NC1=O

InChI

InChI=1S/C12H11NO3/c1-7(14)6-10-8-4-2-3-5-9(8)11(15)13-12(10)16/h2-5,10H,6H2,1H3,(H,13,15,16)