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

Systemtic Name: 4-[(5E)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-oxidanidyl-4,6-bis(oxidanylidene)pyrimidin-1-yl]benzoate Openeye Name: 4-[(5E)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-oxido-4,6-dioxo-pyrimidin-1-yl]benzoate CAS Name: 4-[(5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-oxido-4,6-dioxo-1-pyrimidinyl]benzoate IUPAC Name: 4-[(5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-oxido-4,6-dioxopyrimidin-1-yl]benzoate Traditional Name: 4-[(5E)-4,6-diketo-5-(3-methoxy-4-propargyloxy-benzylidene)-2-oxido-pyrimidin-1-yl]benzoate Formula: C22H14N2O7-2 MolecularWeight: 418.35576

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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-])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-])OCC#C

InChI

InChI=1S/C22H16N2O7/c1-3-10-31-17-9-4-13(12-18(17)30-2)11-16-19(25)23-22(29)24(20(16)26)15-7-5-14(6-8-15)21(27)28/h1,4-9,11-12H,10H2,2H3,(H,27,28)(H,23,25,29)/p-2/b16-11+