2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethanoate

Systemtic Name: 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethanoate Openeye Name: 2-[(4Z)-4-[(4-tert-butylphenyl)methylene]-1,3-dioxo-2-isoquinolyl]acetate CAS Name: 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]acetate IUPAC Name: 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]acetate Traditional Name: 2-[(4Z)-4-(4-tert-butylbenzylidene)-1,3-diketo-2-isoquinolyl]acetate Formula: C22H20NO4- MolecularWeight: 362.3985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CC(=O)[O-]

InChI

InChI=1S/C22H21NO4/c1-22(2,3)15-10-8-14(9-11-15)12-18-16-6-4-5-7-17(16)20(26)23(21(18)27)13-19(24)25/h4-12H,13H2,1-3H3,(H,24,25)/p-1/b18-12-