ethyl (2Z)-2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxidanylidene-isoquinolin-3-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2Z)-2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxidanylidene-isoquinolin-3-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-2-(1-naphthyl)-1-oxo-3-isoquinolylidene]-2-cyano-acetate CAS Name: (2Z)-2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(1-naphthalenyl)-1-oxo-3-isoquinolinylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxoisoquinolin-3-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-cyano-2-[(4Z)-1-keto-2-(1-naphthyl)-4-piperonylidene-3-isoquinolylidene]acetic acid ethyl ester Formula: C32H22N2O5 MolecularWeight: 514.52748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4C(=O)N1C5=CC=CC6=CC=CC=C65)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C(=C\C2=CC3=C(C=C2)OCO3)/C4=CC=CC=C4C(=O)N1C5=CC=CC6=CC=CC=C65)/C#N

InChI

InChI=1S/C32H22N2O5/c1-2-37-32(36)26(18-33)30-25(16-20-14-15-28-29(17-20)39-19-38-28)23-11-5-6-12-24(23)31(35)34(30)27-13-7-9-21-8-3-4-10-22(21)27/h3-17H,2,19H2,1H3/b25-16-,30-26-