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

Systemtic Name: 2-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-nitro-benzonitrile CAS Name: 2-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-nitrobenzonitrile IUPAC Name: 2-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-nitrobenzonitrile Traditional Name: 2-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c1-25-16-5-6-17(26-2)18-13(16)9-20(10-15(18)22)14-4-3-12(21(23)24)7-11(14)8-19/h3-7,15,22H,9-10H2,1-2H3/t15-/m1/s1