1-isoquinolin-1-yl-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-isoquinolin-1-yl-2-(4-nitrophenoxy)ethanone Openeye Name: 1-(1-isoquinolyl)-2-(4-nitrophenoxy)ethanone CAS Name: 1-(1-isoquinolinyl)-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-isoquinolin-1-yl-2-(4-nitrophenoxy)ethanone Traditional Name: 1-(1-isoquinolyl)-2-(4-nitrophenoxy)ethanone Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4/c20-16(11-23-14-7-5-13(6-8-14)19(21)22)17-15-4-2-1-3-12(15)9-10-18-17/h1-10H,11H2