2-methyl-3-oxidanyl-3-propyl-isoquinoline-1,4-dione

Systemtic Name: 2-methyl-3-oxidanyl-3-propyl-isoquinoline-1,4-dione Openeye Name: 3-hydroxy-2-methyl-3-propyl-isoquinoline-1,4-dione CAS Name: 3-hydroxy-2-methyl-3-propylisoquinoline-1,4-dione IUPAC Name: 3-hydroxy-2-methyl-3-propylisoquinoline-1,4-dione Traditional Name: 3-hydroxy-2-methyl-3-propyl-isoquinoline-1,4-quinone Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C2=CC=CC=C2C(=O)N1C)O

Isomeric SMILES

CCCC1(C(=O)C2=CC=CC=C2C(=O)N1C)O

InChI

InChI=1S/C13H15NO3/c1-3-8-13(17)11(15)9-6-4-5-7-10(9)12(16)14(13)2/h4-7,17H,3,8H2,1-2H3