6-(2-butyl-1-oxidanyl-3-oxidanylidene-isoindol-1-yl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-butyl-1-oxidanyl-3-oxidanylidene-isoindol-1-yl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-(2-butyl-1-hydroxy-3-oxo-isoindolin-1-yl)-4H-1,4-benzoxazin-3-one CAS Name: 6-(2-butyl-1-hydroxy-3-oxo-1-isoindolyl)-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(2-butyl-1-hydroxy-3-oxoisoindol-1-yl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-(2-butyl-1-hydroxy-3-keto-isoindolin-1-yl)-4H-1,4-benzoxazin-3-one Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C1(C3=CC4=C(C=C3)OCC(=O)N4)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C1(C3=CC4=C(C=C3)OCC(=O)N4)O

InChI

InChI=1S/C20H20N2O4/c1-2-3-10-22-19(24)14-6-4-5-7-15(14)20(22,25)13-8-9-17-16(11-13)21-18(23)12-26-17/h4-9,11,25H,2-3,10,12H2,1H3,(H,21,23)