(1R,4E)-6,7-dimethoxy-1-(4-methoxyphenyl)-4-(7-nitro-3-oxidanylidene-2-benzofuran-1-ylidene)-1H-isochromen-3-one

Systemtic Name: (1R,4E)-6,7-dimethoxy-1-(4-methoxyphenyl)-4-(7-nitro-3-oxidanylidene-2-benzofuran-1-ylidene)-1H-isochromen-3-one Openeye Name: (1R,4E)-6,7-dimethoxy-1-(4-methoxyphenyl)-4-(7-nitro-3-oxo-isobenzofuran-1-ylidene)isochroman-3-one CAS Name: (1R,4E)-6,7-dimethoxy-1-(4-methoxyphenyl)-4-(7-nitro-3-oxo-1-isobenzofuranylidene)-3,4-dihydro-1H-2-benzopyran-3-one IUPAC Name: (1R,4E)-6,7-dimethoxy-1-(4-methoxyphenyl)-4-(7-nitro-3-oxo-2-benzofuran-1-ylidene)-1H-isochromen-3-one Traditional Name: (1R,4E)-4-(3-keto-7-nitro-phthalan-1-ylidene)-6,7-dimethoxy-1-(4-methoxyphenyl)isochroman-3-one Formula: C26H19NO9 MolecularWeight: 489.43036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3C(=C4C5=C(C=CC=C5[N+](=O)[O-])C(=O)O4)C(=O)O2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C3=CC(=C(C=C3/C(=C\4/C5=C(C=CC=C5[N+](=O)[O-])C(=O)O4)/C(=O)O2)OC)OC

InChI

InChI=1S/C26H19NO9/c1-32-14-9-7-13(8-10-14)23-17-12-20(34-3)19(33-2)11-16(17)22(26(29)35-23)24-21-15(25(28)36-24)5-4-6-18(21)27(30)31/h4-12,23H,1-3H3/b24-22+/t23-/m1/s1