(2-chloranyl-5-nitro-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (2-chloro-5-nitro-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (2-chloro-5-nitrophenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (2-chloro-5-nitrophenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (2-chloro-5-nitro-phenyl)-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C20H21ClN2O5 MolecularWeight: 404.84414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OCC

InChI

InChI=1S/C20H21ClN2O5/c1-3-27-18-9-13-7-8-22(12-14(13)10-19(18)28-4-2)20(24)16-11-15(23(25)26)5-6-17(16)21/h5-6,9-11H,3-4,7-8,12H2,1-2H3