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

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitro-phenyl)methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitro-phenyl)methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitrophenyl)methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitrophenyl)methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitro-phenyl)methanone Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-4-27-19-11-15-8-9-22(13-17(15)12-20(19)28-5-2)21(24)16-6-7-18(23(25)26)14(3)10-16/h6-7,10-12H,4-5,8-9,13H2,1-3H3