2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O6/c1-28-17-7-12-5-6-21(10-13(12)8-18(17)29-2)11-22-19(24)15-4-3-14(23(26)27)9-16(15)20(22)25/h3-4,7-9H,5-6,10-11H2,1-2H3