3-[oxidanyl(phenethyloxy)methylidene]-2H-isoquinoline-7,8-dione

Systemtic Name: 3-[oxidanyl(phenethyloxy)methylidene]-2H-isoquinoline-7,8-dione Openeye Name: 3-[hydroxy(phenethyloxy)methylene]-2H-isoquinoline-7,8-dione CAS Name: 3-[hydroxy(phenethyloxy)methylidene]-2H-isoquinoline-7,8-dione IUPAC Name: 3-[hydroxy(phenethyloxy)methylidene]-2H-isoquinoline-7,8-dione Traditional Name: 3-[hydroxy(phenethyloxy)methylene]-2H-isoquinoline-7,8-quinone Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=C2C=C3C=CC(=O)C(=O)C3=CN2)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=C2C=C3C=CC(=O)C(=O)C3=CN2)O

InChI

InChI=1S/C18H15NO4/c20-16-7-6-13-10-15(19-11-14(13)17(16)21)18(22)23-9-8-12-4-2-1-3-5-12/h1-7,10-11,19,22H,8-9H2