(3E)-6-chloranyl-3-[ethoxy(oxidanyl)methylidene]-2-propyl-isoquinoline-1,4-dione

Systemtic Name: (3E)-6-chloranyl-3-[ethoxy(oxidanyl)methylidene]-2-propyl-isoquinoline-1,4-dione Openeye Name: (3E)-6-chloro-3-[ethoxy(hydroxy)methylene]-2-propyl-isoquinoline-1,4-dione CAS Name: (3E)-6-chloro-3-[ethoxy(hydroxy)methylidene]-2-propylisoquinoline-1,4-dione IUPAC Name: (3E)-6-chloro-3-[ethoxy(hydroxy)methylidene]-2-propylisoquinoline-1,4-dione Traditional Name: (3E)-6-chloro-3-[ethoxy(hydroxy)methylene]-2-propyl-isoquinoline-1,4-quinone Formula: C15H16ClNO4 MolecularWeight: 309.74484

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(O)OCC)C(=O)C2=C(C1=O)C=CC(=C2)Cl

Isomeric SMILES

CCCN1/C(=C(\O)/OCC)/C(=O)C2=C(C1=O)C=CC(=C2)Cl

InChI

InChI=1S/C15H16ClNO4/c1-3-7-17-12(15(20)21-4-2)13(18)11-8-9(16)5-6-10(11)14(17)19/h5-6,8,20H,3-4,7H2,1-2H3/b15-12+