1-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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