(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-nitro-3-oxidanyl-phenyl)methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-hydroxy-4-nitro-phenyl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-hydroxy-4-nitrophenyl)methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-hydroxy-4-nitrophenyl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-hydroxy-4-nitro-phenyl)methanone Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-25-16-8-11-5-6-19(10-13(11)9-17(16)26-2)18(22)12-3-4-14(20(23)24)15(21)7-12/h3-4,7-9,21H,5-6,10H2,1-2H3