diethyl 2-[[(1-bromanylisoquinolin-3-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(1-bromanylisoquinolin-3-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(1-bromo-3-isoquinolyl)amino]methylene]propanedioate CAS Name: 2-[[(1-bromo-3-isoquinolinyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(1-bromoisoquinolin-3-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(1-bromo-3-isoquinolyl)amino]methylene]malonic acid diethyl ester Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC2=CC=CC=C2C(=N1)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC2=CC=CC=C2C(=N1)Br)C(=O)OCC

InChI

InChI=1S/C17H17BrN2O4/c1-3-23-16(21)13(17(22)24-4-2)10-19-14-9-11-7-5-6-8-12(11)15(18)20-14/h5-10H,3-4H2,1-2H3,(H,19,20)