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

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]propanoate Openeye Name: 3-[(4Z)-4-[(3-ethoxy-4-hydroxy-phenyl)methylene]-1,3-dioxo-2-isoquinolyl]propanoate CAS Name: 3-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]propanoate IUPAC Name: 3-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]propanoate Traditional Name: 3-[(4Z)-4-(3-ethoxy-4-hydroxy-benzylidene)-1,3-diketo-2-isoquinolyl]propionate Formula: C21H18NO6- MolecularWeight: 380.37072

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6/c1-2-28-18-12-13(7-8-17(18)23)11-16-14-5-3-4-6-15(14)20(26)22(21(16)27)10-9-19(24)25/h3-8,11-12,23H,2,9-10H2,1H3,(H,24,25)/p-1/b16-11-