3-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-4,5,6-triethoxy-7-nitro-3H-2-benzofuran-1-one

Systemtic Name: 3-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-4,5,6-triethoxy-7-nitro-3H-2-benzofuran-1-one Openeye Name: 3-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-4,5,6-triethoxy-7-nitro-3H-isobenzofuran-1-one CAS Name: 3-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-4,5,6-triethoxy-7-nitro-3H-isobenzofuran-1-one IUPAC Name: 3-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-4,5,6-triethoxy-7-nitro-3H-2-benzofuran-1-one Traditional Name: 3-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-4,5,6-triethoxy-7-nitro-phthalide Formula: C26H32N2O9 MolecularWeight: 516.54028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1C(OC2=O)C3C4=CC(=C(C=C4CCN3C)OC)OC)[N+](=O)[O-])OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C(C2=C1C(OC2=O)C3C4=CC(=C(C=C4CCN3C)OC)OC)[N+](=O)[O-])OCC)OCC

InChI

InChI=1S/C26H32N2O9/c1-7-34-23-19-18(21(28(30)31)24(35-8-2)25(23)36-9-3)26(29)37-22(19)20-15-13-17(33-6)16(32-5)12-14(15)10-11-27(20)4/h12-13,20,22H,7-11H2,1-6H3