3-[bis(oxidanyl)methylidene]-2-(2,2-dimethylpropyl)-7-methyl-isoquinoline-1,4-dione

Systemtic Name: 3-[bis(oxidanyl)methylidene]-2-(2,2-dimethylpropyl)-7-methyl-isoquinoline-1,4-dione Openeye Name: 3-(dihydroxymethylene)-2-(2,2-dimethylpropyl)-7-methyl-isoquinoline-1,4-dione CAS Name: 3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)-7-methylisoquinoline-1,4-dione IUPAC Name: 3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)-7-methylisoquinoline-1,4-dione Traditional Name: 3-(dihydroxymethylene)-7-methyl-2-neopentyl-isoquinoline-1,4-quinone Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(O)O)N(C2=O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(O)O)N(C2=O)CC(C)(C)C

InChI

InChI=1S/C16H19NO4/c1-9-5-6-10-11(7-9)14(19)17(8-16(2,3)4)12(13(10)18)15(20)21/h5-7,20-21H,8H2,1-4H3