1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-nitrophenyl)amino]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-nitrophenyl)amino]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitroanilino)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitroanilino)ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitroanilino)ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitroanilino)ethanone Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O5/c1-26-17-8-13-6-7-21(12-14(13)9-18(17)27-2)19(23)11-20-15-4-3-5-16(10-15)22(24)25/h3-5,8-10,20H,6-7,11-12H2,1-2H3