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

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-fluoranyl-3-nitro-phenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-fluoro-3-nitro-phenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-fluoro-3-nitrophenyl)methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-fluoro-3-nitrophenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-fluoro-3-nitro-phenyl)methanone Formula: C20H21FN2O5 MolecularWeight: 388.389543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O5/c1-3-27-18-10-13-7-8-22(12-15(13)11-19(18)28-4-2)20(24)14-5-6-16(21)17(9-14)23(25)26/h5-6,9-11H,3-4,7-8,12H2,1-2H3