diethyl 2-[[ethyl-(5-methyl-1-oxidanylidene-2H-isoquinolin-6-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[ethyl-(5-methyl-1-oxidanylidene-2H-isoquinolin-6-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[ethyl-(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]methylene]propanedioate CAS Name: 2-[[ethyl-(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[ethyl-(5-methyl-1-oxo-2H-isoquinolin-6-yl)amino]methylidene]propanedioate Traditional Name: 2-[[ethyl-(1-keto-5-methyl-2H-isoquinolin-6-yl)amino]methylene]malonic acid diethyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=C(C2=C(C=C1)C(=O)NC=C2)C

Isomeric SMILES

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=C(C2=C(C=C1)C(=O)NC=C2)C

InChI

InChI=1S/C20H24N2O5/c1-5-22(12-16(19(24)26-6-2)20(25)27-7-3)17-9-8-15-14(13(17)4)10-11-21-18(15)23/h8-12H,5-7H2,1-4H3,(H,21,23)