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

Systemtic Name: 3-[bis(oxidanyl)methylidene]-2-(2,2-dimethylpropyl)isoquinoline-1,4-dione Openeye Name: 3-(dihydroxymethylene)-2-(2,2-dimethylpropyl)isoquinoline-1,4-dione CAS Name: 3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)isoquinoline-1,4-dione IUPAC Name: 3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)isoquinoline-1,4-dione Traditional Name: 3-(dihydroxymethylene)-2-neopentyl-isoquinoline-1,4-quinone Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(O)O)C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(C)CN1C(=C(O)O)C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C15H17NO4/c1-15(2,3)8-16-11(14(19)20)12(17)9-6-4-5-7-10(9)13(16)18/h4-7,19-20H,8H2,1-3H3