diethyl 2-[4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxidanylidene-isoquinolin-3-ylidene]propanedioate

Systemtic Name: diethyl 2-[4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxidanylidene-isoquinolin-3-ylidene]propanedioate Openeye Name: diethyl 2-[4-(1,3-benzodioxol-5-ylmethylene)-2-(1-naphthyl)-1-oxo-3-isoquinolylidene]propanedioate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-2-(1-naphthalenyl)-1-oxo-3-isoquinolinylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(1,3-benzodioxol-5-ylmethylidene)-2-naphthalen-1-yl-1-oxoisoquinolin-3-ylidene]propanedioate Traditional Name: 2-[1-keto-2-(1-naphthyl)-4-piperonylidene-3-isoquinolylidene]malonic acid diethyl ester Formula: C34H27NO7 MolecularWeight: 561.58068

Click to see the large picture

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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C34H27NO7/c1-3-39-33(37)30(34(38)40-4-2)31-26(18-21-16-17-28-29(19-21)42-20-41-28)24-13-7-8-14-25(24)32(36)35(31)27-15-9-11-22-10-5-6-12-23(22)27/h5-19H,3-4,20H2,1-2H3