3-[(4Z)-4-[(4-ethylphenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate

Systemtic Name: 3-[(4Z)-4-[(4-ethylphenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(4-ethylphenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-4-[(4-ethylphenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-4-[(4-ethylphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(4-ethylbenzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C21H18NO4- MolecularWeight: 348.37192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-]

InChI

InChI=1S/C21H19NO4/c1-2-14-7-9-15(10-8-14)13-18-16-5-3-4-6-17(16)20(25)22(21(18)26)12-11-19(23)24/h3-10,13H,2,11-12H2,1H3,(H,23,24)/p-1/b18-13-