N-(3-nitrophenyl)-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-(3-nitrophenyl)-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-(3-nitrophenyl)-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-(3-nitrophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: 2-(1-keto-2-isoquinolyl)-N-(3-nitrophenyl)acetamide Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4/c21-16(18-13-5-3-6-14(10-13)20(23)24)11-19-9-8-12-4-1-2-7-15(12)17(19)22/h1-10H,11H2,(H,18,21)