N-(3-nitrophenyl)-2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxy-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxy-ethanamide Openeye Name: 2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]-N-(3-nitrophenyl)acetamide CAS Name: N-(3-nitrophenyl)-2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]acetamide IUPAC Name: N-(3-nitrophenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide Traditional Name: 2-[(2-allyl-1-keto-5-isoquinolyl)oxy]-N-(3-nitrophenyl)acetamide Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-2-10-22-11-9-16-17(20(22)25)7-4-8-18(16)28-13-19(24)21-14-5-3-6-15(12-14)23(26)27/h2-9,11-12H,1,10,13H2,(H,21,24)