5-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-3-(2-methylphenyl)-2,6-bis(oxidanylidene)pyrimidin-4-olate

Systemtic Name: 5-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-3-(2-methylphenyl)-2,6-bis(oxidanylidene)pyrimidin-4-olate Openeye Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-3-(o-tolyl)-2,6-dioxo-pyrimidin-4-olate CAS Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-3-(2-methylphenyl)-2,6-dioxo-4-pyrimidinolate IUPAC Name: 5-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(2-methylphenyl)-2,6-dioxopyrimidin-4-olate Traditional Name: 2,6-diketo-5-[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]-3-(o-tolyl)pyrimidin-4-olate Formula: C21H17N2O7- MolecularWeight: 409.36888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)NC2=O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)NC2=O)[C@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)[O-]

InChI

InChI=1S/C21H18N2O7/c1-10-6-4-5-7-12(10)23-19(25)15(18(24)22-21(23)27)16-11-8-9-13(28-2)17(29-3)14(11)20(26)30-16/h4-9,16,25H,1-3H3,(H,22,24,27)/p-1/t16-/m1/s1