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

Systemtic Name: 3-[(4Z)-4-[(4-cyanophenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(4-cyanophenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-4-[(4-cyanophenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-4-[(4-cyanophenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(4-cyanobenzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C20H13N2O4- MolecularWeight: 345.32822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)C#N)C(=O)N(C2=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)C#N)/C(=O)N(C2=O)CCC(=O)[O-]

InChI

InChI=1S/C20H14N2O4/c21-12-14-7-5-13(6-8-14)11-17-15-3-1-2-4-16(15)19(25)22(20(17)26)10-9-18(23)24/h1-8,11H,9-10H2,(H,23,24)/p-1/b17-11-