4,5,6-triethoxy-7-nitro-3-(6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-3H-2-benzofuran-1-one

Systemtic Name: 4,5,6-triethoxy-7-nitro-3-(6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-3H-2-benzofuran-1-one Openeye Name: 4,5,6-triethoxy-7-nitro-3-(6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-3H-isobenzofuran-1-one CAS Name: 4,5,6-triethoxy-7-nitro-3-(6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-3H-isobenzofuran-1-one IUPAC Name: 4,5,6-triethoxy-7-nitro-3-(6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-3H-2-benzofuran-1-one Traditional Name: 4,5,6-triethoxy-7-nitro-3-(6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phthalide Formula: C27H34N2O10 MolecularWeight: 546.56626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O10/c1-8-36-24-18-17(20(29(31)32)25(37-9-2)26(24)38-10-3)27(30)39-22(18)19-16-14(11-12-28(19)4)13-15(33-5)21(34-6)23(16)35-7/h13,19,22H,8-12H2,1-7H3