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

Systemtic Name: 2-[2-(2-ethoxyethyl)-1-oxidanylidene-isoquinolin-5-yl]oxy-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[2-(2-ethoxyethyl)-1-oxo-5-isoquinolyl]oxy]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[2-(2-ethoxyethyl)-1-oxo-5-isoquinolinyl]oxy]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[2-(2-ethoxyethyl)-1-keto-5-isoquinolyl]oxy]-N-(4-nitrophenyl)acetamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-2-29-13-12-23-11-10-17-18(21(23)26)4-3-5-19(17)30-14-20(25)22-15-6-8-16(9-7-15)24(27)28/h3-11H,2,12-14H2,1H3,(H,22,25)