3-(4-bromophenyl)-2,6-bis(oxidanylidene)-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrimidin-4-olate

Systemtic Name: 3-(4-bromophenyl)-2,6-bis(oxidanylidene)-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrimidin-4-olate Openeye Name: 3-(4-bromophenyl)-2,6-dioxo-5-(3-oxo-1H-isobenzofuran-1-yl)pyrimidin-4-olate CAS Name: 3-(4-bromophenyl)-2,6-dioxo-5-(3-oxo-1H-isobenzofuran-1-yl)-4-pyrimidinolate IUPAC Name: 3-(4-bromophenyl)-2,6-dioxo-5-(3-oxo-1H-2-benzofuran-1-yl)pyrimidin-4-olate Traditional Name: 3-(4-bromophenyl)-2,6-diketo-5-phthalidyl-pyrimidin-4-olate Formula: C18H10BrN2O5- MolecularWeight: 414.1864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Br)[O-]

InChI

InChI=1S/C18H11BrN2O5/c19-9-5-7-10(8-6-9)21-16(23)13(15(22)20-18(21)25)14-11-3-1-2-4-12(11)17(24)26-14/h1-8,14,23H,(H,20,22,25)/p-1