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

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-4-methoxy-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(3-ethoxy-4-methoxy-phenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(3-ethoxy-4-methoxy-benzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C22H20NO6- MolecularWeight: 394.3973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CCC(=O)[O-])OC

InChI

InChI=1S/C22H21NO6/c1-3-29-19-13-14(8-9-18(19)28-2)12-17-15-6-4-5-7-16(15)21(26)23(22(17)27)11-10-20(24)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,25)/p-1/b17-12-