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

Systemtic Name: (1R,4E)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-(7-nitro-3-oxidanylidene-2-benzofuran-1-ylidene)-1H-isochromen-3-one Openeye Name: (1R,4E)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-(7-nitro-3-oxo-isobenzofuran-1-ylidene)isochroman-3-one CAS Name: (1R,4E)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-(7-nitro-3-oxo-1-isobenzofuranylidene)-3,4-dihydro-1H-2-benzopyran-3-one IUPAC Name: (1R,4E)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-(7-nitro-3-oxo-2-benzofuran-1-ylidene)-1H-isochromen-3-one Traditional Name: (1R,4E)-1-(3,4-dimethoxyphenyl)-4-(3-keto-7-nitro-phthalan-1-ylidene)-6,7-dimethoxy-isochroman-3-one Formula: C27H21NO10 MolecularWeight: 519.45634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=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)OC

InChI

InChI=1S/C27H21NO10/c1-33-18-9-8-13(10-19(18)34-2)24-16-12-21(36-4)20(35-3)11-15(16)23(27(30)37-24)25-22-14(26(29)38-25)6-5-7-17(22)28(31)32/h5-12,24H,1-4H3/b25-23+/t24-/m1/s1