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

Systemtic Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-nitrophenyl)ethanone Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O3/c1-19(2)12-14-5-3-4-6-16(14)17(20-19)11-18(22)13-7-9-15(10-8-13)21(23)24/h3-10H,11-12H2,1-2H3