2-(3-methyl-3H-isoquinolin-2-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(3-methyl-3H-isoquinolin-2-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(3-methyl-3H-isoquinolin-2-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(3-methyl-3H-isoquinolin-2-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(3-methyl-3H-isoquinolin-2-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(3-methyl-3H-isoquinolin-2-yl)-1-(4-nitrophenyl)ethanone Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2C=CC=CC2=CN1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C=C2C=CC=CC2=CN1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O3/c1-13-10-15-4-2-3-5-16(15)11-19(13)12-18(21)14-6-8-17(9-7-14)20(22)23/h2-11,13H,12H2,1H3