(3Z)-3-[butoxy(oxidanyl)methylidene]-6-propan-2-yloxy-isoquinoline-1,4-dione

Systemtic Name: (3Z)-3-[butoxy(oxidanyl)methylidene]-6-propan-2-yloxy-isoquinoline-1,4-dione Openeye Name: (3Z)-3-[butoxy(hydroxy)methylene]-6-isopropoxy-isoquinoline-1,4-dione CAS Name: (3Z)-3-[butoxy(hydroxy)methylidene]-6-propan-2-yloxyisoquinoline-1,4-dione IUPAC Name: (3Z)-3-[butoxy(hydroxy)methylidene]-6-propan-2-yloxyisoquinoline-1,4-dione Traditional Name: (3Z)-3-[butoxy(hydroxy)methylene]-6-isopropoxy-isoquinoline-1,4-quinone Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=C1C(=O)C2=C(C=CC(=C2)OC(C)C)C(=O)N1)O

Isomeric SMILES

CCCCO/C(=C\1/C(=O)C2=C(C=CC(=C2)OC(C)C)C(=O)N1)/O

InChI

InChI=1S/C17H21NO5/c1-4-5-8-22-17(21)14-15(19)13-9-11(23-10(2)3)6-7-12(13)16(20)18-14/h6-7,9-10,21H,4-5,8H2,1-3H3,(H,18,20)/b17-14-