3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-4-nitro-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-4-nitro-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-4-nitrophenyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-4-nitrophenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-4-nitro-phenyl)methanone Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3/c1-12-10-14(6-7-16(12)19(21)22)17(20)18-9-8-13-4-2-3-5-15(13)11-18/h2-7,10H,8-9,11H2,1H3