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

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzonitrile CAS Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzonitrile IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzonitrile Traditional Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzonitrile Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C18H17N3O4/c1-24-17-8-12-5-6-20(11-14(12)9-18(17)25-2)16-4-3-15(21(22)23)7-13(16)10-19/h3-4,7-9H,5-6,11H2,1-2H3