2-[2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-5-yl]oxy-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[2-(2-methoxyethyl)-1-oxidanylidene-isoquinolin-5-yl]oxy-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[2-(2-methoxyethyl)-1-oxo-5-isoquinolyl]oxy]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[2-(2-methoxyethyl)-1-oxo-5-isoquinolinyl]oxy]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[1-keto-2-(2-methoxyethyl)-5-isoquinolyl]oxy]-N-(4-nitrophenyl)acetamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-28-12-11-22-10-9-16-17(20(22)25)3-2-4-18(16)29-13-19(24)21-14-5-7-15(8-6-14)23(26)27/h2-10H,11-13H2,1H3,(H,21,24)