1-isoquinolin-1-yl-2-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 1-isoquinolin-1-yl-2-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 1-(1-isoquinolyl)-2-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 1-(1-isoquinolinyl)-2-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 1-isoquinolin-1-yl-2-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 1-(1-isoquinolyl)-2-(4-methoxy-3-nitro-phenyl)ethanone Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)C2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)C2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4/c1-24-17-7-6-12(10-15(17)20(22)23)11-16(21)18-14-5-3-2-4-13(14)8-9-19-18/h2-10H,11H2,1H3