5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-nitro-phenolate

Systemtic Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-nitro-phenolate Openeye Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitro-phenolate CAS Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-nitrophenolate IUPAC Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitrophenolate Traditional Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitro-phenolate Formula: C18H17N2O6- MolecularWeight: 357.33738

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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/p-1