5-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-olate

Systemtic Name: 5-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-olate Openeye Name: 5-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]-2,6-dioxo-3-phenethyl-pyrimidin-4-olate CAS Name: 5-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-2,6-dioxo-3-phenethyl-4-pyrimidinolate IUPAC Name: 5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2,6-dioxo-3-phenethylpyrimidin-4-olate Traditional Name: 5-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]-2,6-diketo-3-phenethyl-pyrimidin-4-olate Formula: C22H19N2O6- MolecularWeight: 407.39606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=C(N(C(=O)NC2=O)CCC3=CC=CC=C3)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=C(N(C(=O)NC2=O)CCC3=CC=CC=C3)[O-])O

InChI

InChI=1S/C22H20N2O6/c1-30-18-13-15(7-9-16(18)25)8-10-17(26)19-20(27)23-22(29)24(21(19)28)12-11-14-5-3-2-4-6-14/h2-10,13,25,28H,11-12H2,1H3,(H,23,27,29)/p-1/b10-8+