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

Systemtic Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzonitrile CAS Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzonitrile IUPAC Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzonitrile Traditional Name: 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzonitrile Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-3-26-19-10-14-7-8-22(13-16(14)11-20(19)27-4-2)18-6-5-17(23(24)25)9-15(18)12-21/h5-6,9-11H,3-4,7-8,13H2,1-2H3