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

Systemtic Name: 1-isoquinolin-1-yl-2-(3-methyl-4-nitro-phenyl)ethanone Openeye Name: 1-(1-isoquinolyl)-2-(3-methyl-4-nitro-phenyl)ethanone CAS Name: 1-(1-isoquinolinyl)-2-(3-methyl-4-nitrophenyl)ethanone IUPAC Name: 1-isoquinolin-1-yl-2-(3-methyl-4-nitrophenyl)ethanone Traditional Name: 1-(1-isoquinolyl)-2-(3-methyl-4-nitro-phenyl)ethanone Formula: C18H14N2O3 MolecularWeight: 306.31536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)C2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)C2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O3/c1-12-10-13(6-7-16(12)20(22)23)11-17(21)18-15-5-3-2-4-14(15)8-9-19-18/h2-10H,11H2,1H3