diethyl 2-[(isoquinolin-1-ylamino)methylidene]propanedioate

Systemtic Name: diethyl 2-[(isoquinolin-1-ylamino)methylidene]propanedioate Openeye Name: diethyl 2-[(1-isoquinolylamino)methylene]propanedioate CAS Name: 2-[(1-isoquinolinylamino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(isoquinolin-1-ylamino)methylidene]propanedioate Traditional Name: 2-[(1-isoquinolylamino)methylene]malonic acid diethyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=CC2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC=CC2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C17H18N2O4/c1-3-22-16(20)14(17(21)23-4-2)11-19-15-13-8-6-5-7-12(13)9-10-18-15/h5-11H,3-4H2,1-2H3,(H,18,19)