4-(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzonitrile CAS Name: 4-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzonitrile IUPAC Name: 4-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzonitrile Traditional Name: 4-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzonitrile Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c1-25-16-5-6-17(26-2)18-12(16)9-20(10-15(18)22)13-4-3-11(8-19)7-14(13)21(23)24/h3-7,15,22H,9-10H2,1-2H3