2-[2-(tert-butylamino)-1-oxidanyl-ethyl]-7-methyl-13H-benzo[d][2,6]benzodioxonine-6,11-dione

Systemtic Name: 2-[2-(tert-butylamino)-1-oxidanyl-ethyl]-7-methyl-13H-benzo[d][2,6]benzodioxonine-6,11-dione Openeye Name: 2-[2-(tert-butylamino)-1-hydroxy-ethyl]-7-methyl-13H-benzo[d][2,6]benzodioxonine-6,11-dione CAS Name: 2-[2-(tert-butylamino)-1-hydroxyethyl]-7-methyl-13H-benzo[d][2,6]benzodioxonin-6,11-dione IUPAC Name: 2-[2-(tert-butylamino)-1-hydroxyethyl]-7-methyl-13H-benzo[d][2,6]benzodioxonine-6,11-dione Traditional Name: 2-[2-(tert-butylamino)-1-hydroxy-ethyl]-7-methyl-13H-benzo[d][2,6]benzodioxonin-6,11-quinone Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)OC3=C(COC2=O)C=C(C=C3)C(CNC(C)(C)C)O

Isomeric SMILES

CC1=CC=CC2=C1C(=O)OC3=C(COC2=O)C=C(C=C3)C(CNC(C)(C)C)O

InChI

InChI=1S/C22H25NO5/c1-13-6-5-7-16-19(13)21(26)28-18-9-8-14(10-15(18)12-27-20(16)25)17(24)11-23-22(2,3)4/h5-10,17,23-24H,11-12H2,1-4H3