4-[(5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-oxidanidyl-4,6-bis(oxidanylidene)pyrimidin-1-yl]benzoate

Systemtic Name: 4-[(5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-oxidanidyl-4,6-bis(oxidanylidene)pyrimidin-1-yl]benzoate Openeye Name: 4-[(5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-oxido-4,6-dioxo-pyrimidin-1-yl]benzoate CAS Name: 4-[(5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-oxido-4,6-dioxo-1-pyrimidinyl]benzoate IUPAC Name: 4-[(5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-oxido-4,6-dioxopyrimidin-1-yl]benzoate Traditional Name: 4-[(5E)-5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-4,6-diketo-2-oxido-pyrimidin-1-yl]benzoate Formula: C22H13BrN2O7-2 MolecularWeight: 497.25182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(N(C2=O)C3=CC=C(C=C3)C(=O)[O-])[O-])Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N=C(N(C2=O)C3=CC=C(C=C3)C(=O)[O-])[O-])Br)OCC#C

InChI

InChI=1S/C22H15BrN2O7/c1-3-8-32-18-16(23)10-12(11-17(18)31-2)9-15-19(26)24-22(30)25(20(15)27)14-6-4-13(5-7-14)21(28)29/h1,4-7,9-11H,8H2,2H3,(H,28,29)(H,24,26,30)/p-2/b15-9+